Molecule ID: 10820

IUPAC Name: 4-propan-2-ylbenzoic acid

Description: The molecule is a cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. It has a role as a plant metabolite. It is a conjugate acid of a p-cumate.

SMILES: CC(C)c1ccc(C(=O)O)cc1

SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.4