Molecule ID: 442775

IUPAC Name: [4-[(1S)-1-acetyloxyprop-2-enyl]-2-methoxyphenyl] acetate

Description: The molecule is an acetate ester that is eugenol acetate substituted by an acetoxy group at position 1. It has a role as a plant metabolite. It is an acetate ester, a phenylpropanoid and a monomethoxybenzene. It derives from a eugenol.

SMILES: C=C[C@H](OC(C)=O)c1ccc(OC(C)=O)c(OC)c1

SELFIES: [C][=C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N]

InChI: InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 2.2