Molecule ID: 16680207

IUPAC Name: propyl 3-(4-hydroxy-3-methoxyphenyl)propanoate

Description: The molecule is a carboxylic ester that is the propyl ester of dihydroferulic acid. It is a carboxylic ester, an aromatic ester and a member of phenols. It derives from a 3-phenylpropionic acid.

SMILES: CCCOC(=O)CCc1ccc(O)c(OC)c1

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

InChI: InChI=1S/C13H18O4/c1-3-8-17-13(15)7-5-10-4-6-11(14)12(9-10)16-2/h4,6,9,14H,3,5,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.9