7-methoxy-4-methyl-3-phenyl-2H-chromen-2-one

• ChemBase ID: 223530
• Molecular Formular: C17H14O3
• Molecular Mass: 266.29126
• Monoisotopic Mass: 266.09429431
• SMILES: c1(=O)c(c(c2c(o1)cc(cc2)OC)C)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)c1ccccc1
• InChI: InChI=1S/C17H14O3/c1-11-14-9-8-13(19-2)10-15(14)20-17(18)16(11)12-6-4-3-5-7-12/h3-10H,1-2H3
• InChIKey: ZZMVBTSFGRXFPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-methyl-3-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-methoxy-4-methyl-3-phenylchromen-2-one

Database IDs

• PubChem SID: 164279440
• PubChem CID: 688962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5931706
• LogD (pH = 7.4): 3.5931706
• Log P: 3.5931706
• Molar Refractivity: 76.7459 cm^3
• Polarizability: 29.716555 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