Molecule ID: 5354678

IUPAC Name: methyl (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate

Description: The molecule is a phenyl acetate obtained by the formal condensation of the carboxy group of acetic acid with the hydroxy group of methyl ferulate. It is a cinnamate ester, a monomethoxybenzene and a member of phenyl acetates. It derives from a ferulic acid.

SMILES: COC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1

SELFIES: [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N]

InChI: InChI=1S/C13H14O5/c1-9(14)18-11-6-4-10(8-12(11)16-2)5-7-13(15)17-3/h4-8H,1-3H3/b7-5+

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 1.9