You are looking to Ethyl Vanillin
General Information
Pubchem ID: 8467
IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde
Synonym/s: Bourbonal, ---
Molecular Formula: C9H10O3
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 166.1700
Number of Atoms: 22
Rotatable Bonds: 3
Molecular Refractivity (m³ • mol-1 ): 45.550
Physico-chemical Properties
Volume (cm³ • mol-1 ): 620.21
Solvent Accessible Surface Area (Ų): 397.06
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 3
Total Charge: 0
pKa: 7.90
AlogP: 1.65
Polar Surface Area (Å): 66.55
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Satisfied
Functional Group/s
Carbonyl
Alkanol
Aldehyde
Ether
Phenol