Molecule ID: 3696467

IUPAC Name: (4-acetyloxy-3-methoxyphenyl)methyl acetate

Description: The molecule is a phenyl acetate that is the diacetate obtained from the formal condensation of the two hydroxy groups of vanillyl alcohol with two molecules of acetic acid. It is a monomethoxybenzene and a member of phenyl acetates. It derives from a vanillyl alcohol.

SMILES: COc1cc(COC(C)=O)ccc1OC(C)=O

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

InChI: InChI=1S/C12H14O5/c1-8(13)16-7-10-4-5-11(17-9(2)14)12(6-10)15-3/h4-6H,7H2,1-3H3

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 1.0