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

• ChemBase ID: 193771
• Molecular Formular: C25H22O4
• Molecular Mass: 386.43978
• Monoisotopic Mass: 386.15180918
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1ccc(cc1)C)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1)C
• InChI: InChI=1S/C25H22O4/c1-16-8-10-18(11-9-16)15-28-19-12-13-21-23(14-19)29-17(2)24(25(21)26)20-6-4-5-7-22(20)27-3/h4-14H,15H2,1-3H3
• InChIKey: LOVZHTPEATTYKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249681
• PubChem CID: 1558165

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.462193
• LogD (pH = 7.4): 5.462193
• Log P: 5.462193
• Molar Refractivity: 114.1395 cm^3
• Polarizability: 43.507812 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds