5-(4-methoxyphenyl)-9-methyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 196435
• Molecular Formular: C31H22O4
• Molecular Mass: 458.50398
• Monoisotopic Mass: 458.15180918
• SMILES: c12c(c(c3c(c(co3)c3ccc(cc3)c3ccccc3)c2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(coc1c2C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C31H22O4/c1-19-30-27(28(18-34-30)23-10-8-21(9-11-23)20-6-4-3-5-7-20)16-26-25(17-29(32)35-31(19)26)22-12-14-24(33-2)15-13-22/h3-18H,1-2H3
• InChIKey: BQLILXVDYMZBIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-9-methyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-(4-methoxyphenyl)-9-methyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164252345
• PubChem CID: 1800863

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.0258822
• LogD (pH = 7.4): 7.0258822
• Log P: 7.0258822
• Molar Refractivity: 145.7192 cm^3
• Polarizability: 56.02386 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds