Molecule ID: 119104

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

Description: The molecule is an acetate ester that is chavicol acetate substituted by an acetoxy group at position 1'. It has a role as a plant metabolite, a NF-kappaB inhibitor and an antineoplastic agent. It is an acetate ester and a phenylpropanoid. It derives from a chavicol.

SMILES: C=C[C@H](OC(C)=O)c1ccc(OC(C)=O)cc1

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][=C][Ring1][#Branch2]

InChI: InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.2