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

• ChemBase ID: 187996
• Molecular Formular: C26H20O4
• Molecular Mass: 396.4346
• Monoisotopic Mass: 396.13615912
• SMILES: c12c(c(c3c(c(co3)c3ccc(cc3)C)c2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(coc1c2C)c1ccc(cc1)C
• InChI: InChI=1S/C26H20O4/c1-15-4-6-18(7-5-15)23-14-29-25-16(2)26-21(12-22(23)25)20(13-24(27)30-26)17-8-10-19(28-3)11-9-17/h4-14H,1-3H3
• InChIKey: XELDLOOYEUDZKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243906
• PubChem CID: 1773977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8920784
• LogD (pH = 7.4): 5.8920784
• Log P: 5.8920784
• Molar Refractivity: 125.6242 cm^3
• Polarizability: 46.728172 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds