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You are looking to Methyl isoeugenol



General Information

Pubchem ID: 7128

IUPAC Name: 1,2-dimethoxy-4-prop-1-enylbenzene

Synonym/s: Trans -Methyl isoeugenol, 4-Prop-1-enylveratrole

Molecular Formula: C11H14O2

SMILES:


Known Interaction/s




Structural Values

Molecular Weight (Da): 178.2300

Number of Atoms: 27

Rotatable Bonds: 3

Molecular Refractivity (m³ • mol-1 ): 54.340



Physico-chemical Properties

Volume (cm³ • mol-1 ): 690.35

Solvent Accessible Surface Area (Ų): 427.00

Hydrogen Bond Donor: 0

Hydrogen Bond Acceptor: 2

Total Charge: 0

pKa: None

AlogP: 2.75

Polar Surface Area (Å): 15.79



Pharmacological Analysis

Rule of Five or Lipinsky Rule: Satisfied

Rule of Three: Unsatisfied

Ghose Filter: Satisfied



Functional Group/s

Alkene

Ether

Benzene Ring