Molecule ID: 7655

IUPAC Name: 2-phenylethyl 2-methylpropanoate

Description: The molecule is a carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid. It has a role as a metabolite. It derives from a 2-phenylethanol and an isobutyric acid.

SMILES: CC(C)C(=O)OCCc1ccccc1

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

InChI: InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.3