Molecule ID: 21627639

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

Description: The molecule is an aromatic ketone that is propiophenone substituted by acetoxy groups at positions 1 and 2 and methoxy groups at positions 3' and 4' respectively. It is an aromatic ketone, a dimethoxybenzene and an acetate ester. It derives from a propiophenone.

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

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

InChI: InChI=1S/C15H18O7/c1-9(16)21-8-14(22-10(2)17)15(18)11-5-6-12(19-3)13(7-11)20-4/h5-7,14H,8H2,1-4H3

Molecular Properties:
- Polar Surface Area: 88.1 Ų
- LogP: 1.4