Molecular properties
- Formula
- C13H18O2
- Molar mass
- 206.28 g·mol−1
- Exact mass
- 206.1307 Da
- 5
- PubChem CID
- 2840098
Molecule record
2-(4-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
- 14377-21-0
- 2-(4-pentylphenyl)aceticacid
- 4-Pentylphenyl acetic acid
- 4-Pentylphenylacetic acid
- 4-n-Pentylphenylacetic acid
- AC-10336
- AKOS001483217
- CCG-103131
Show all 24 synonyms
- CHEBI:107532
- CHEMBL1470631
- CK1039
- DB-063496
- DS-7416
- DTXCID30336642
- DTXSID70385619
- HMS1607E19
- HMS2466C13
- MFCD00605331
- MLS000087636
- RefChem:294956
- SCHEMBL846163
- SMR000023858
- SY109962
- benzeneacetic acid, 4-pentyl-
Structure identifiers
- Canonical SMILES
- CCCCCc1ccc(CC(=O)O)cc1
- Isomeric SMILES
- CCCCCC1=CC=C(C=C1)CC(=O)O
- InChI
- InChI=1S/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
- InChIKey
- YAAVVJAWWNQMCY-UHFFFAOYSA-N
- PubChem CID
- 2840098
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-(4-pentylphenyl)acetic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(4-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.