Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 38111
Molecule record
4-(2-methylpropyl)benzoic acid
C11H14O2
178.23 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
- 38661-88-0
- 38861-88-0
- 4-Isobutylbenzoic acid
- 4-iso-Butylbenzoic acid
- 4-isobutyl benzoic acid
- 599E5B23F1
- 630-992-6
- 641-472-3
Show all 24 synonyms
- BENZOIC ACID, p-ISOBUTYL-
- BRN 2207397
- Benzoic acid, 4-(2-methylpropyl)-
- CHEMBL4083814
- CS-0128899
- DTXCID10114607
- DTXSID00192116
- I0437
- Ibuprofen Impurity S
- MFCD00191658
- NSC 168984
- P-(2-METHYLPROPYL)BENZOIC ACID
- RefChem:99489
- UNII-599E5B23F1
- Z57052892
- p-isobutylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(C)Cc1ccc(C(=O)O)cc1
- Isomeric SMILES
- CC(C)CC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
- InChIKey
- VUBBCFWWSKOHTH-UHFFFAOYSA-N
- PubChem CID
- 38111
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 4-(2-methylpropyl)benzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-(2-methylpropyl)benzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.