Molecule ID: 81964

IUPAC Name: 2-phenylethyl pentanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of 2-phenylethanol with valeric acid. It derives from a valeric acid and a 2-phenylethanol.

SMILES: CCCCC(=O)OCCc1ccccc1

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

InChI: InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.7