You are looking to 2-Coumaranone
General Information
Pubchem ID: 68382
IUPAC Name: 3H-1-benzofuran-2-one
Synonym/s: Benzofuran-2(3H)-one, ---
Molecular Formula: C8H6O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 134.1300
Number of Atoms: 16
Rotatable Bonds: 0
Molecular Refractivity (m³ • mol-1 ): 35.850
Physico-chemical Properties
Volume (cm³ • mol-1 ): 478.37
Solvent Accessible Surface Area (Ų): 311.42
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: None
AlogP: 1.46
Polar Surface Area (Å): 42.41
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Arene
Ester
Lactone
Benzene Ring