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Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.
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1 – 15 of 84 results
1

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

CAS 15687-27-1
Molecular Weight (g/mol) 206.29
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
2

(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.28
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
3

3-(4-Bromophenyl)propionic acid, 97%, Thermo Scientific Chemicals

CAS: 1643-30-7 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br

PubChem CID 2735609
CAS 1643-30-7
MDL Number MFCD01310793
SMILES C1=CC(=CC=C1CCC(=O)O)Br
Synonym 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm
IUPAC Name 3-(4-bromophenyl)propanoic acid
InChI Key NCSTWHYWOVZDOC-UHFFFAOYSA-N
4

(R)-3-(Boc-amino)-3-phenylpropionic acid, 95%, Thermo Scientific Chemicals

CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 7009108
CAS 161024-80-2
Molecular Weight (g/mol) 265.309
MDL Number MFCD01320859
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid
IUPAC Name (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-LLVKDONJSA-N
Molecular Formula C14H19NO4
5

3-(5-Bromo-2-methoxyphenyl)propionic acid, 96%, Thermo Scientific Chemicals

CAS: 82547-30-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.10 MDL Number: MFCD09258907 InChI Key: RCLIOLQUIYTUPY-UHFFFAOYSA-N Synonym: 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid PubChem CID: 22685184 IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid SMILES: COC1=C(CCC(O)=O)C=C(Br)C=C1

PubChem CID 22685184
CAS 82547-30-6
Molecular Weight (g/mol) 259.10
MDL Number MFCD09258907
SMILES COC1=C(CCC(O)=O)C=C(Br)C=C1
Synonym 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid
IUPAC Name 3-(5-bromo-2-methoxyphenyl)propanoic acid
InChI Key RCLIOLQUIYTUPY-UHFFFAOYSA-N
Molecular Formula C10H11BrO3
6

DL-Phenylsuccinic acid, 98+%

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

PubChem CID 95459
CAS 635-51-8
Molecular Weight (g/mol) 194.19
MDL Number MFCD00004256
SMILES C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name 2-phenylbutanedioic acid
InChI Key LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula C10H10O4
7

Thermo Scientific Chemicals DL-2-Benzylserine, 97%

CAS: 4740-47-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD01863305 InChI Key: ZMNNAJIBOJDHAF-JTQLQIEISA-N Synonym: dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine PubChem CID: 7010088 IUPAC Name: (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid SMILES: C1=CC=C(C=C1)CC(CO)(C(=O)O)N

PubChem CID 7010088
CAS 4740-47-0
Molecular Weight (g/mol) 195.22
MDL Number MFCD01863305
SMILES C1=CC=C(C=C1)CC(CO)(C(=O)O)N
Synonym dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine
IUPAC Name (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid
InChI Key ZMNNAJIBOJDHAF-JTQLQIEISA-N
Molecular Formula C10H13NO3
8

3-(2,4-Dichlorophenyl)propanoic acid, 97%, Thermo Scientific™

CAS: 55144-92-8 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD00275605 InChI Key: HLNPVFSCAMKIOD-UHFFFAOYSA-N PubChem CID: 2740915 IUPAC Name: 3-(2,4-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)CCC(=O)O

PubChem CID 2740915
CAS 55144-92-8
Molecular Weight (g/mol) 219.061
MDL Number MFCD00275605
SMILES C1=CC(=C(C=C1Cl)Cl)CCC(=O)O
IUPAC Name 3-(2,4-dichlorophenyl)propanoic acid
InChI Key HLNPVFSCAMKIOD-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O2
9

α-Methyl-DL-phenylalanine, 98%, Thermo Scientific™

CAS: 1132-26-9 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00010512 InChI Key: IRZQDMYEJPNDEN-UHFFFAOYNA-N Synonym: alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine # PubChem CID: 108055 IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(C(N)C(O)=O)C1=CC=CC=C1

PubChem CID 108055
CAS 1132-26-9
Molecular Weight (g/mol) 179.22
MDL Number MFCD00010512
SMILES CC(C(N)C(O)=O)C1=CC=CC=C1
Synonym alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine #
IUPAC Name 2-amino-2-methyl-3-phenylpropanoic acid
InChI Key IRZQDMYEJPNDEN-UHFFFAOYNA-N
Molecular Formula C10H13NO2
10

3-(2,3-Dimethoxyphenyl)propionic acid, 96%, Thermo Scientific™

CAS: 10538-48-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00029821 InChI Key: QPHAUUNQQLRYCJ-UHFFFAOYSA-N PubChem CID: 314929 IUPAC Name: 3-(2,3-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=CC(=C1OC)CCC(=O)O

PubChem CID 314929
CAS 10538-48-4
Molecular Weight (g/mol) 210.229
MDL Number MFCD00029821
SMILES COC1=CC=CC(=C1OC)CCC(=O)O
IUPAC Name 3-(2,3-dimethoxyphenyl)propanoic acid
InChI Key QPHAUUNQQLRYCJ-UHFFFAOYSA-N
Molecular Formula C11H14O4
11

3-(2,3,4-Trimethoxyphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 33130-04-0 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00002773 InChI Key: QOPNYPCVRBRZOP-UHFFFAOYSA-N PubChem CID: 118401 IUPAC Name: 3-(2,3,4-trimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(CCC(O)=O)C(OC)=C1OC

PubChem CID 118401
CAS 33130-04-0
Molecular Weight (g/mol) 240.26
MDL Number MFCD00002773
SMILES COC1=CC=C(CCC(O)=O)C(OC)=C1OC
IUPAC Name 3-(2,3,4-trimethoxyphenyl)propanoic acid
InChI Key QOPNYPCVRBRZOP-UHFFFAOYSA-N
Molecular Formula C12H16O5
12

3-(3,5-Dichlorophenyl)propionic acid, 97%, Thermo Scientific™

CAS: 95333-95-2 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.06 MDL Number: MFCD04037332 InChI Key: GQICJNXGCGRFBA-UHFFFAOYSA-N Synonym: 3-3,5-dichlorophenyl propanoic acid,benzenepropanoic acid, 3,5-dichloro,3-3,5-dichloro-phenyl-propionic acid,3-3,5-dichlorophenyl propionic acid,3-3',5'-dichlorophenyl propanoic acid,acmc-20anl7,3,5-dichloro-benzenepropanoic acid,3-3,5-dichlorophenyl propanoicacid,3-3,5-di-chlorophenyl propionic acid,3-3,5-dichloro-phenyl-propionicacid PubChem CID: 819305 IUPAC Name: 3-(3,5-dichlorophenyl)propanoic acid SMILES: OC(=O)CCC1=CC(Cl)=CC(Cl)=C1

PubChem CID 819305
CAS 95333-95-2
Molecular Weight (g/mol) 219.06
MDL Number MFCD04037332
SMILES OC(=O)CCC1=CC(Cl)=CC(Cl)=C1
Synonym 3-3,5-dichlorophenyl propanoic acid,benzenepropanoic acid, 3,5-dichloro,3-3,5-dichloro-phenyl-propionic acid,3-3,5-dichlorophenyl propionic acid,3-3',5'-dichlorophenyl propanoic acid,acmc-20anl7,3,5-dichloro-benzenepropanoic acid,3-3,5-dichlorophenyl propanoicacid,3-3,5-di-chlorophenyl propionic acid,3-3,5-dichloro-phenyl-propionicacid
IUPAC Name 3-(3,5-dichlorophenyl)propanoic acid
InChI Key GQICJNXGCGRFBA-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O2
13

3-(3-Methoxyphenyl)propionic acid, 99%, Thermo Scientific™

CAS: 10516-71-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00014027 InChI Key: BJJQJLOZWBZEGA-UHFFFAOYSA-N Synonym: 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate PubChem CID: 66336 IUPAC Name: 3-(3-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC(CCC(O)=O)=C1

PubChem CID 66336
CAS 10516-71-9
Molecular Weight (g/mol) 180.20
MDL Number MFCD00014027
SMILES COC1=CC=CC(CCC(O)=O)=C1
Synonym 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate
IUPAC Name 3-(3-methoxyphenyl)propanoic acid
InChI Key BJJQJLOZWBZEGA-UHFFFAOYSA-N
Molecular Formula C10H12O3
14

3-(2,4-Dimethoxyphenyl)propionic acid, 96%, Thermo Scientific™

CAS: 22174-29-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00598205 InChI Key: NVDCWSFMCUWKAL-UHFFFAOYSA-N Synonym: 3-2,4-dimethoxyphenyl propanoic acid,3-2,4-dimethoxyphenyl propionic acid,benzenepropanoic acid, 2,4-dimethoxy,benzenepropanoic acid,2,4-dimethoxy,acmc-20anm2,2,4-dimethoxy-benzenepropanoic acid PubChem CID: 3870215 IUPAC Name: 3-(2,4-dimethoxyphenyl)propanoic acid SMILES: COC1=CC(=C(C=C1)CCC(=O)O)OC

PubChem CID 3870215
CAS 22174-29-4
Molecular Weight (g/mol) 210.229
MDL Number MFCD00598205
SMILES COC1=CC(=C(C=C1)CCC(=O)O)OC
Synonym 3-2,4-dimethoxyphenyl propanoic acid,3-2,4-dimethoxyphenyl propionic acid,benzenepropanoic acid, 2,4-dimethoxy,benzenepropanoic acid,2,4-dimethoxy,acmc-20anm2,2,4-dimethoxy-benzenepropanoic acid
IUPAC Name 3-(2,4-dimethoxyphenyl)propanoic acid
InChI Key NVDCWSFMCUWKAL-UHFFFAOYSA-N
Molecular Formula C11H14O4
15

3-(3,5-Dimethoxyphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 717-94-2 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD03425685 InChI Key: LMBOJOXVLORKSQ-UHFFFAOYSA-N Synonym: 3-3,5-dimethoxyphenyl propionic acid,3-3,5-dimethoxyphenyl propanoic acid,benzenepropanoic acid, 3,5-dimethoxy,3,5-dimethoxybenzenepropionic acid,3-3,5-dimethoxyphenyl propionicacid,3-3,5-dimethoxy-phenyl-propionic acid PubChem CID: 3870216 IUPAC Name: 3-(3,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC(=CC(=C1)CCC(=O)O)OC

PubChem CID 3870216
CAS 717-94-2
Molecular Weight (g/mol) 210.229
MDL Number MFCD03425685
SMILES COC1=CC(=CC(=C1)CCC(=O)O)OC
Synonym 3-3,5-dimethoxyphenyl propionic acid,3-3,5-dimethoxyphenyl propanoic acid,benzenepropanoic acid, 3,5-dimethoxy,3,5-dimethoxybenzenepropionic acid,3-3,5-dimethoxyphenyl propionicacid,3-3,5-dimethoxy-phenyl-propionic acid
IUPAC Name 3-(3,5-dimethoxyphenyl)propanoic acid
InChI Key LMBOJOXVLORKSQ-UHFFFAOYSA-N
Molecular Formula C11H14O4