2-methyl-7-[(2-methylphenyl)methoxy]-3-phenyl-4H-chromen-4-one

• ChemBase ID: 201935
• Molecular Formular: C24H20O3
• Molecular Mass: 356.4138
• Monoisotopic Mass: 356.1412445
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c(C)cccc1)cc2)c1ccccc1
• Canonical SMILES: Cc1ccccc1COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C24H20O3/c1-16-8-6-7-11-19(16)15-26-20-12-13-21-22(14-20)27-17(2)23(24(21)25)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
• InChIKey: IVCQGGHCYBBAGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-7-[(2-methylphenyl)methoxy]-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 2-methyl-7-[(2-methylphenyl)methoxy]-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164257845
• PubChem CID: 1762581

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.6198645
• LogD (pH = 7.4): 5.6198645
• Log P: 5.6198645
• Molar Refractivity: 107.6763 cm^3
• Polarizability: 41.007435 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds