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You are looking to Isoeugenol acetate



General Information

Pubchem ID: 7137

IUPAC Name: (2-methoxy-4-prop-1-enylphenyl) acetate

Synonym/s: ---, ---

Molecular Formula: C12H14O3

SMILES:


Known Interaction/s




Structural Values

Molecular Weight (Da): 206.2400

Number of Atoms: 29

Rotatable Bonds: 4

Molecular Refractivity (m³ • mol-1 ): 59.010



Physico-chemical Properties

Volume (cm³ • mol-1 ): 779.16

Solvent Accessible Surface Area (Ų): 481.32

Hydrogen Bond Donor: 0

Hydrogen Bond Acceptor: 3

Total Charge: 0

pKa: None

AlogP: 2.53

Polar Surface Area (Å): 45.09



Pharmacological Analysis

Rule of Five or Lipinsky Rule: Satisfied

Rule of Three: Unsatisfied

Ghose Filter: Satisfied



Functional Group/s

Carbonyl

Alkene

Ether

Esther

Benzene Ring