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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (366)
Complex Aldehydes (87)
Alpha beta-unsaturated carbonyl compounds (13)
Dicarbonyl Compounds (10)
Acyloins (5)
Alpha-acyloxy carbonyl compounds (2)

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1 – 15 of 192 results
1

Benperidol, TRC

CAS: 2062-84-2 Molecular Formula: C22 H24 F N3 O2 Molecular Weight (g/mol): 381.44 Synonym: 1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one,1-[1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl]-2-benzimidazolinone,1-(1-[4-(p-Fluorophenyl)-4-oxobutyl]piperidin-4-yl)-2-benzimidazolinone,1-[1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl]-2-benzimidazolinone,Anquil,Benperidol,Benzoperidol,Benzperidol,CB 8089,Frenactil,Frenactyl,Glianimon,McN-JR 4584,NSC 170982,R 4584,R 4730 IUPAC Name: 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one SMILES: Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34

CAS 2062-84-2
Molecular Weight (g/mol) 381.44
SMILES Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34
Synonym 1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one,1-[1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl]-2-benzimidazolinone,1-(1-[4-(p-Fluorophenyl)-4-oxobutyl]piperidin-4-yl)-2-benzimidazolinone,1-[1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl]-2-benzimidazolinone,Anquil,Benperidol,Benzoperidol,Benzperidol,CB 8089,Frenactil,Frenactyl,Glianimon,McN-JR 4584,NSC 170982,R 4584,R 4730
IUPAC Name 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular Formula C22 H24 F N3 O2
2

Nitisinone, TRC

CAS: 104206-65-7 Molecular Formula: C14 H10 F3 N O5 Molecular Weight (g/mol): 329.23 Synonym: 1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]- (9CI, ACI),2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (ACI),Nitisinone,Nitisone,Nityr,NTBC,Orfadin,SC 0735 IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione SMILES: [O-][N+](=O)c1cc(ccc1C(=O)C2C(=O)CCCC2=O)C(F)(F)F

CAS 104206-65-7
Molecular Weight (g/mol) 329.23
SMILES [O-][N+](=O)c1cc(ccc1C(=O)C2C(=O)CCCC2=O)C(F)(F)F
Synonym 1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]- (9CI, ACI),2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (ACI),Nitisinone,Nitisone,Nityr,NTBC,Orfadin,SC 0735
IUPAC Name 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
Molecular Formula C14 H10 F3 N O5
3

Fluvoxketone, TRC

CAS: 61718-80-7 Molecular Formula: C13 H15 F3 O2 Molecular Weight (g/mol): 260.25 Synonym: 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone,Fluvoxketone,Fluvoxamine Maleate Imp. D (EP) IUPAC Name: 5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one SMILES: COCCCCC(=O)c1ccc(cc1)C(F)(F)F

CAS 61718-80-7
Molecular Weight (g/mol) 260.25
SMILES COCCCCC(=O)c1ccc(cc1)C(F)(F)F
Synonym 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone,Fluvoxketone,Fluvoxamine Maleate Imp. D (EP)
IUPAC Name 5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
Molecular Formula C13 H15 F3 O2
4

Acetohexamide, TRC

CAS: 968-81-0 Molecular Formula: C15 H20 N2 O4 S Molecular Weight (g/mol): 324.4 Synonym: Benzenesulfonamide, 4-acetyl-N-[(cyclohexylamino)carbonyl]-Urea, 1-[(p-acetylphenyl)sulfonyl]-3-cyclohexyl- (6CI,8CI),1-(p-Acetylbenzenesulfonyl)-3-cyclohexylurea,1-[(p-Acetylphenyl)sulfonyl]-3-cyclohexylurea,Acetohexamid,Acetohexamide,Dimelin,Dimelin (antidiabetic),Dimelor,Dymelor,Gamadiabet,Hypoglicil,Metaglucina,Minoral,N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea,Ordimel,Tsiklamid,U 14812 IUPAC Name: 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea SMILES: CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2

CAS 968-81-0
Molecular Weight (g/mol) 324.4
SMILES CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2
Synonym Benzenesulfonamide, 4-acetyl-N-[(cyclohexylamino)carbonyl]-Urea, 1-[(p-acetylphenyl)sulfonyl]-3-cyclohexyl- (6CI,8CI),1-(p-Acetylbenzenesulfonyl)-3-cyclohexylurea,1-[(p-Acetylphenyl)sulfonyl]-3-cyclohexylurea,Acetohexamid,Acetohexamide,Dimelin,Dimelin (antidiabetic),Dimelor,Dymelor,Gamadiabet,Hypoglicil,Metaglucina,Minoral,N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea,Ordimel,Tsiklamid,U 14812
IUPAC Name 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
Molecular Formula C15 H20 N2 O4 S
5

Benzbromarone, TRC

CAS: 3562-84-3 Molecular Formula: C17 H12 Br2 O3 Molecular Weight (g/mol): 424.08 Synonym: Benzbromarone,(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone; IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone SMILES: CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3

CAS 3562-84-3
Molecular Weight (g/mol) 424.08
SMILES CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
Synonym Benzbromarone,(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone;
IUPAC Name (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
Molecular Formula C17 H12 Br2 O3
6

Isoacetovanillone, TRC

CAS: 6100-74-9 Molecular Formula: C9 H10 O3 Molecular Weight (g/mol): 166.17 Synonym: 1-(3-Hydroxy-4-methoxyphenyl)ethanone,Acetophenone, 3'-hydroxy-4'-methoxy- (7CI,8CI),1-(3-Hydroxy-4-methoxyphenyl)ethanone,2-Methoxy-5-acetylphenol,3'-Hydroxy-4'-methoxyacetophenone,4'-Methoxy-3'-hydroxyacetophenone,5-Acetyl-2-methoxyphenol,Acetoisovanillone,Isoacetovanillone,NSC 30050,Diosmin Imp. A (EP) IUPAC Name: 1-(3-hydroxy-4-methoxyphenyl)ethanone SMILES: COc1ccc(cc1O)C(=O)C

CAS 6100-74-9
Molecular Weight (g/mol) 166.17
SMILES COc1ccc(cc1O)C(=O)C
Synonym 1-(3-Hydroxy-4-methoxyphenyl)ethanone,Acetophenone, 3'-hydroxy-4'-methoxy- (7CI,8CI),1-(3-Hydroxy-4-methoxyphenyl)ethanone,2-Methoxy-5-acetylphenol,3'-Hydroxy-4'-methoxyacetophenone,4'-Methoxy-3'-hydroxyacetophenone,5-Acetyl-2-methoxyphenol,Acetoisovanillone,Isoacetovanillone,NSC 30050,Diosmin Imp. A (EP)
IUPAC Name 1-(3-hydroxy-4-methoxyphenyl)ethanone
Molecular Formula C9 H10 O3
7

Bromperidol, TRC

CAS: 10457-90-6 Molecular Formula: C21 H23 Br F N O2 Molecular Weight (g/mol): 420.32 Synonym: Bromperidol,4-[4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one IUPAC Name: 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3

CAS 10457-90-6
Molecular Weight (g/mol) 420.32
SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3
Synonym Bromperidol,4-[4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
IUPAC Name 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular Formula C21 H23 Br F N O2
8

Propionaldehyde, TRC

CAS: 123-38-6 Molecular Formula: C3 H6 O Molecular Weight (g/mol): 58.08 Synonym: Propanal,Propionaldehyde (7CI,8CI),1-Propanal,Ethylcarboxaldehyde,Methylacetaldehyde,NSC 6493,Propaldehyde,Propanaldehyde,Propional,Propionic aldehyde,Propylaldehyde,Propylic aldehyde,n-Propanal,n-Propionaldehyde IUPAC Name: propanal SMILES: CCC=O

CAS 123-38-6
Molecular Weight (g/mol) 58.08
SMILES CCC=O
Synonym Propanal,Propionaldehyde (7CI,8CI),1-Propanal,Ethylcarboxaldehyde,Methylacetaldehyde,NSC 6493,Propaldehyde,Propanaldehyde,Propional,Propionic aldehyde,Propylaldehyde,Propylic aldehyde,n-Propanal,n-Propionaldehyde
IUPAC Name propanal
Molecular Formula C3 H6 O
9

Haloperidol, TRC

CAS: 52-86-8 Molecular Formula: C21 H23 Cl F N O2 Molecular Weight (g/mol): 375.86 Synonym: 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-,Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- (6CI,8CI),1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine,4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone,4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone,4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone,Aloperidin,Bioperidolo,Brotopon,Dozic,Einalon S,Eukystol,Haldol,Haloperidol,Haloperin,Halosten,Keselan,Linton,McN-JR 1625,NSC 170973,NSC 615296,Neurodol,Peluces,R 1625,Serenace,Serenase,Serenelfi,Sigaperidol,γ-[4-(p-Chlorphenyl)-4-hydroxypiperidino]-p-fluorbutyrophenone IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3

CAS 52-86-8
Molecular Weight (g/mol) 375.86
SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3
Synonym 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-,Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- (6CI,8CI),1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine,4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone,4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone,4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone,Aloperidin,Bioperidolo,Brotopon,Dozic,Einalon S,Eukystol,Haldol,Haloperidol,Haloperin,Halosten,Keselan,Linton,McN-JR 1625,NSC 170973,NSC 615296,Neurodol,Peluces,R 1625,Serenace,Serenase,Serenelfi,Sigaperidol,γ-[4-(p-Chlorphenyl)-4-hydroxypiperidino]-p-fluorbutyrophenone
IUPAC Name 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular Formula C21 H23 Cl F N O2
10

Tralkoxidym, TRC

CAS: 87820-88-0 Molecular Formula: C20 H27 N O3 Molecular Weight (g/mol): 329.43 Synonym: 2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one (ACI),2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-mesitylcyclohex-2-enone,Achieve,Achieve (pesticide),FD 4026,Grasp,Grasp (cyclohexenone),ICI-A 604,ICIA 0604,PP 604,Splendor,Tralkoxydim IUPAC Name: 2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one SMILES: CCO\N=C(/CC)\C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C

CAS 87820-88-0
Molecular Weight (g/mol) 329.43
SMILES CCO\N=C(/CC)\C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C
Synonym 2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one (ACI),2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-mesitylcyclohex-2-enone,Achieve,Achieve (pesticide),FD 4026,Grasp,Grasp (cyclohexenone),ICI-A 604,ICIA 0604,PP 604,Splendor,Tralkoxydim
IUPAC Name 2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
Molecular Formula C20 H27 N O3
11

Valerophenone, TRC

CAS: 1009-14-9 Molecular Formula: C11 H14 O Molecular Weight (g/mol): 162.23 Synonym: SB-270466,n-butyl phenyl ketone IUPAC Name: 1-phenylpentan-1-one SMILES: CCCCC(=O)c1ccccc1

CAS 1009-14-9
Molecular Weight (g/mol) 162.23
SMILES CCCCC(=O)c1ccccc1
Synonym SB-270466,n-butyl phenyl ketone
IUPAC Name 1-phenylpentan-1-one
Molecular Formula C11 H14 O
12

Furfural, TRC

CAS: 98-01-1 Molecular Formula: C5 H4 O2 Molecular Weight (g/mol): 96.08 Synonym: Furane-2-carbaldehyde,2-Furancarboxaldehyde (9CI, ACI),2-Furaldehyde (8CI),2-Formylfuran,2-Furanal,2-Furanaldehyde,2-Furancarbaldehyde,2-Furancarbonal,2-Furfural,2-Furfuraldehyde,2-Furylaldehyde,2-Furylcarboxaldehyde,Artificial ant oil,Fural,Furaldehyde,Furan-2-carboxaldehyde,Furancarbonal,Furfural,Furfuraldehyde,Furfurals,Furfurol,Furfurole,Furfurylaldehyde,Furole,NSC 8841,Pyromucic aldehyde,α-Furole,2-Furfurol IUPAC Name: furan-2-carbaldehyde SMILES: O=Cc1occc1

CAS 98-01-1
Molecular Weight (g/mol) 96.08
SMILES O=Cc1occc1
Synonym Furane-2-carbaldehyde,2-Furancarboxaldehyde (9CI, ACI),2-Furaldehyde (8CI),2-Formylfuran,2-Furanal,2-Furanaldehyde,2-Furancarbaldehyde,2-Furancarbonal,2-Furfural,2-Furfuraldehyde,2-Furylaldehyde,2-Furylcarboxaldehyde,Artificial ant oil,Fural,Furaldehyde,Furan-2-carboxaldehyde,Furancarbonal,Furfural,Furfuraldehyde,Furfurals,Furfurol,Furfurole,Furfurylaldehyde,Furole,NSC 8841,Pyromucic aldehyde,α-Furole,2-Furfurol
IUPAC Name furan-2-carbaldehyde
Molecular Formula C5 H4 O2
13

Amiodarone, TRC

CAS: 1951-25-3 Molecular Formula: C25H29I2NO3 Molecular Weight (g/mol): 645.31 Synonym: 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl Ketone,2-Butyl-3-[3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl]benzofuran,2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone,2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran,Amidorone,Ancaron,Sedacoron,Sedacorone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone SMILES: CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3

CAS 1951-25-3
Molecular Weight (g/mol) 645.31
SMILES CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
Synonym 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl Ketone,2-Butyl-3-[3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl]benzofuran,2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone,2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran,Amidorone,Ancaron,Sedacoron,Sedacorone
IUPAC Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
Molecular Formula C25H29I2NO3
14

Azaperone, TRC

CAS: 1649-18-9 Molecular Formula: C19 H22 F N3 O Molecular Weight (g/mol): 327.4 Synonym: Butyrophenone, 4'-fluoro-4-[4-(2-pyridyl)-1-piperazinyl]- (6CI,8CI),1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone,4'-Fluoro-4-[4-(2-pyridyl)-1-piperazinyl]butyrophenone,Azaperone,Fluoperidol,NSC 170976,R-1929,Stresnil,Suicalm IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one SMILES: Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3

CAS 1649-18-9
Molecular Weight (g/mol) 327.4
SMILES Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3
Synonym Butyrophenone, 4'-fluoro-4-[4-(2-pyridyl)-1-piperazinyl]- (6CI,8CI),1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone,4'-Fluoro-4-[4-(2-pyridyl)-1-piperazinyl]butyrophenone,Azaperone,Fluoperidol,NSC 170976,R-1929,Stresnil,Suicalm
IUPAC Name 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Molecular Formula C19 H22 F N3 O
15

Fenbufen, TRC

CAS: 36330-85-5 Molecular Formula: C16 H14 O3 Molecular Weight (g/mol): 254.28 Synonym: 3-(4-Biphenylcarbonyl)propionic acid,3-(4-Phenylbenzoyl)propionic acid,3-[(Biphenyl-4-yl)carbonyl]propionic acid,4-(1,1'-Biphenyl-4-yl)-4-oxobutanoic acid,4-(4-Phenylphenyl)-4-oxobutyric acid,4-(Biphenyl-4-yl)-4-oxobutanoic acid,Bufemid,CL 82204,Cinopal,Cinopol,Fenbufen,Lederfen,Napanol,γ-Oxo[1,1'-biphenyl]-4-butanoic acid IUPAC Name: 4-oxo-4-(4-phenylphenyl)butanoic acid SMILES: OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2

CAS 36330-85-5
Molecular Weight (g/mol) 254.28
SMILES OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2
Synonym 3-(4-Biphenylcarbonyl)propionic acid,3-(4-Phenylbenzoyl)propionic acid,3-[(Biphenyl-4-yl)carbonyl]propionic acid,4-(1,1'-Biphenyl-4-yl)-4-oxobutanoic acid,4-(4-Phenylphenyl)-4-oxobutyric acid,4-(Biphenyl-4-yl)-4-oxobutanoic acid,Bufemid,CL 82204,Cinopal,Cinopol,Fenbufen,Lederfen,Napanol,γ-Oxo[1,1'-biphenyl]-4-butanoic acid
IUPAC Name 4-oxo-4-(4-phenylphenyl)butanoic acid
Molecular Formula C16 H14 O3