You are looking to Vanillin
General Information
Pubchem ID: 1183
IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde
Synonym/s: Vanillaldehyde, Lioxin
Molecular Formula: C8H8O3
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 152.1500
Number of Atoms: 19
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): 40.800
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: 7.74
AlogP: 1.30
Polar Surface Area (Å): 46.53
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Alkanol
Aldehyde
Ether
Phenol