Molecule ID: 61048

IUPAC Name: 2-methylpropyl benzoate

Description: The molecule is a benzoate ester obtained by the formal condensation of benzoic acid with isobutanol. It has a role as a metabolite. It derives from a benzoic acid and an isobutanol.

SMILES: CC(C)COC(=O)c1ccccc1

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

InChI: InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.6