5-methoxy-7-methyl-4-phenyl-2H-chromen-2-one

• ChemBase ID: 180972
• Molecular Formular: C17H14O3
• Molecular Mass: 266.29126
• Monoisotopic Mass: 266.09429431
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OC)C)c1ccccc1
• Canonical SMILES: COc1cc(C)cc2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C17H14O3/c1-11-8-14(19-2)17-13(12-6-4-3-5-7-12)10-16(18)20-15(17)9-11/h3-10H,1-2H3
• InChIKey: LAFILGGMPICEHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-7-methyl-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 5-methoxy-7-methyl-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164236882
• PubChem CID: 3813681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5723083
• LogD (pH = 7.4): 3.5723083
• Log P: 3.5723083
• Molar Refractivity: 86.6057 cm^3
• Polarizability: 29.566916 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds