Molecule ID: 21627689

IUPAC Name: [3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-3-oxopropyl] acetate

Description: The molecule is an acetate ester obtained by the formal condensation of the hydroxy group of veratrone with acetic acid. It is an aromatic ketone, a dimethoxybenzene and an acetate ester. It derives from a veratrone.

SMILES: COc1ccc(C(=O)C(COC(C)=O)Oc2ccccc2OC)cc1OC

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][#Branch1][O][C]

InChI: InChI=1S/C20H22O7/c1-13(21)26-12-19(27-17-8-6-5-7-15(17)23-2)20(22)14-9-10-16(24-3)18(11-14)25-4/h5-11,19H,12H2,1-4H3

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 3.1