Molecular properties
- Formula
- C13H18O2
- Molar mass
- 206.28 g·mol−1
- Exact mass
- 206.1307 Da
- 5
- PubChem CID
- 24749700
Molecule record
2-(3-pentylphenyl)acetic acid
C13H18O2
206.28 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (3-pentylphenyl)acetic acid
- 1002101-19-0
- 1002101-19-0 (free acid)
- 2-(3-Pentylphenyl)aceticacid
- 3-Pentylbenzeneacetic acid
- 879OVM0Y1S
- AKOS028113459
- BDBM50548388
Show all 24 synonyms
- Benzeneacetic acid, 3-pentyl-
- CQB10119
- CS-0062694
- DB15447
- EN300-1168886
- FEZAGEPRAS [INN]
- Fezagepras
- HY-100775A
- MFCD24480577
- PBI-4050
- RefChem:182619
- SCHEMBL289216
- UNII-879OVM0Y1S
- Z1508932704
- orb1309110
- setogepram
Structure identifiers
- Canonical SMILES
- CCCCCc1cccc(CC(=O)O)c1
- Isomeric SMILES
- CCCCCC1=CC(=CC=C1)CC(=O)O
- InChI
- InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
- InChIKey
- PEGQOIGYZLJMIB-UHFFFAOYSA-N
- PubChem CID
- 24749700
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-(3-pentylphenyl)acetic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(3-pentylphenyl)acetic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.