You are looking to Eugenol
General Information
Pubchem ID: 3314
IUPAC Name: 2-methoxy-4-prop-2-enylphenol
Synonym/s: 4-Allylguaiacol, Eugenic acid
Molecular Formula: C10H12O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 164.2000
Number of Atoms: 24
Rotatable Bonds: 3
Molecular Refractivity (m³ • mol-1 ): 48.500
Physico-chemical Properties
Volume (cm³ • mol-1 ): 644.62
Solvent Accessible Surface Area (Ų): 406.64
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: 10.10
AlogP: 2.55
Polar Surface Area (Å): 29.95
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Satisfied
Functional Group/s
Alkene
Alkanol
Etere
Phenol