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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (29,485)
Phenols (2,234)
Unsubstituted Phenols (1,221)
Naphthalenes (709)
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Tetralins (284)
Indanes (229)
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Phenol esters (222)
Triphenyl compounds (212)
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Naphthacenes (19)
Ellagic acids and derivatives (9)
Pentacenequinones (4)
Pentacenes (4)
1-hydroxylamino 2-unsubstituted benzenoids (3)

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1 – 15 of 14,724 results
1

Benzyl Alcohol, 99%, Pure

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2

Guaiacol, 99+%

CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Synonym: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

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PubChem CID 460
CAS 90-05-1
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:28591
SMILES COC1=CC=CC=C1O
Synonym guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid
IUPAC Name 2-methoxyphenol
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula C7H8O2
3

Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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PubChem CID 243
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
SMILES C1=CC=C(C=C1)C(=O)O
Synonym benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
4

Vitamin K{1}

CAS: 84-80-0 Molecular Formula: C31H46O2 Molecular Weight (g/mol): 450.707 MDL Number: MFCD00214063 InChI Key: MBWXNTAXLNYFJB-NKFFZRIASA-N Synonym: vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone PubChem CID: 5284607 ChEBI: CHEBI:18067 IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

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PubChem CID 5284607
CAS 84-80-0
Molecular Weight (g/mol) 450.707
ChEBI CHEBI:18067
MDL Number MFCD00214063
SMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone
IUPAC Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
InChI Key MBWXNTAXLNYFJB-NKFFZRIASA-N
Molecular Formula C31H46O2
5

Eugenol, 99%

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Synonym: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 SMILES: COC1=CC(CC=C)=CC=C1O

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PubChem CID 3314
CAS 97-53-0
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:4917
MDL Number MFCD00008654
SMILES COC1=CC(CC=C)=CC=C1O
Synonym eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula C10H12O2
6

Triphenylphosphine, 99%

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 11776
CAS 603-35-0
Molecular Weight (g/mol) 262.29
MDL Number MFCD00003043 MFCD20489348
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name triphenylphosphane
InChI Key RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula C18H15P
7

4-Dimethylaminobenzaldehyde, 99+%

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

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PubChem CID 7479
CAS 100-10-7
Molecular Weight (g/mol) 149.19
MDL Number MFCD00003381
SMILES CN(C)C1=CC=C(C=O)C=C1
Synonym 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name 4-(dimethylamino)benzaldehyde
InChI Key BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula C9H11NO
8

trans-Anethole, 99%

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

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PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.2
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O
9

Butylated hydroxyanisole, 96%

CAS: 25013-16-5 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.24 MDL Number: MFCD01779059 InChI Key: MRBKEAMVRSLQPH-UHFFFAOYSA-N Synonym: 3-tert-butyl-4-hydroxyanisole,4-hydroxy-3-tert-butylanisole,2-tert-butyl-4-methoxyphenol,3-bha,4-methoxy-2-tert-butylphenol,3-t-butyl-4-hydroxyanisole,phenol, 2-1,1-dimethylethyl-4-methoxy,2-1,1-dimethylethyl-4-methoxyphenol,2-butyl-4-hydroxyanisole,phenol, 2-tert-butyl-4-methoxy PubChem CID: 8456 ChEBI: CHEBI:76358 IUPAC Name: 2-tert-butyl-4-methoxyphenol SMILES: CC(C)(C)C1=C(C=CC(=C1)OC)O

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PubChem CID 8456
CAS 25013-16-5
Molecular Weight (g/mol) 180.24
ChEBI CHEBI:76358
MDL Number MFCD01779059
SMILES CC(C)(C)C1=C(C=CC(=C1)OC)O
Synonym 3-tert-butyl-4-hydroxyanisole,4-hydroxy-3-tert-butylanisole,2-tert-butyl-4-methoxyphenol,3-bha,4-methoxy-2-tert-butylphenol,3-t-butyl-4-hydroxyanisole,phenol, 2-1,1-dimethylethyl-4-methoxy,2-1,1-dimethylethyl-4-methoxyphenol,2-butyl-4-hydroxyanisole,phenol, 2-tert-butyl-4-methoxy
IUPAC Name 2-tert-butyl-4-methoxyphenol
InChI Key MRBKEAMVRSLQPH-UHFFFAOYSA-N
Molecular Formula C11H16O2
10

4-Aminobenzoic acid, 99%

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

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PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
11

4,5-Dihydroxynaphthalene-2,7-disulfonic Acid, Disodium Salt Dihydrate, 98%

CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]

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PubChem CID 124202444
CAS 5808-22-0
Molecular Weight (g/mol) 400.28
MDL Number MFCD00150612
SMILES O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Synonym chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g
IUPAC Name 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
InChI Key QUEAKWJKJBFNEG-UHFFFAOYSA-L
Molecular Formula C10H10Na2O10S2
12

Thermo Scientific Chemicals alpha-Naphtholbenzein

CAS: 145-50-6 Molecular Formula: C27H18O2 Molecular Weight (g/mol): 374.44 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N PubChem CID: 5941340 IUPAC Name: (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one SMILES: C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O

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PubChem CID 5941340
CAS 145-50-6
Molecular Weight (g/mol) 374.44
SMILES C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
IUPAC Name (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI Key VDDWRTZCUJCDJM-PNHLSOANSA-N
Molecular Formula C27H18O2
13

Tetrakis(triphenylphosphine)palladium(0), 99%

CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 11979704
CAS 14221-01-3
Molecular Weight (g/mol) 1155.59
MDL Number MFCD00010012
SMILES [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4
IUPAC Name palladium;triphenylphosphane
InChI Key NFHFRUOZVGFOOS-UHFFFAOYSA-N
Molecular Formula C72H60P4Pd
14

2-Hydroxy-4-methoxybenzophenone, 98+%

CAS: 131-57-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00008387 InChI Key: DXGLGDHPHMLXJC-UHFFFAOYSA-N Synonym: oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex PubChem CID: 4632 ChEBI: CHEBI:34283 IUPAC Name: (2-hydroxy-4-methoxyphenyl)-phenylmethanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

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PubChem CID 4632
CAS 131-57-7
Molecular Weight (g/mol) 228.247
ChEBI CHEBI:34283
MDL Number MFCD00008387
SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Synonym oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex
IUPAC Name (2-hydroxy-4-methoxyphenyl)-phenylmethanone
InChI Key DXGLGDHPHMLXJC-UHFFFAOYSA-N
Molecular Formula C14H12O3
15

p-Anisaldehyde, 99+%

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

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PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2