Molecule ID: 3376636

IUPAC Name: benzyl 3-hydroxy-2-methylbutanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of hydroxy group of benzyl alcohol with the carboxy group of 3-hydroxy-2-methylbutanoic acid. It is a benzyl ester and a fatty acid ester. It derives from a 3-hydroxy-2-methylbutanoic acid.

SMILES: CC(O)C(C)C(=O)OCc1ccccc1

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

InChI: InChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.9