You are looking to Acetovanillone
General Information
Pubchem ID: 2214
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone
Synonym/s: Apocynin, Acetoguaiacon
Molecular Formula: C9H10O3
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 166.1700
Number of Atoms: 12
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): None
Physico-chemical Properties
Volume (cm³ • mol-1 ): 0.00
Solvent Accessible Surface Area (Ų): 0.00
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 3
Total Charge: 0
pKa: None
AlogP: 0.50
Polar Surface Area (Å): 46.50
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s