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

• ChemBase ID: 195070
• Molecular Formular: C30H20O4
• Molecular Mass: 444.4774
• Monoisotopic Mass: 444.13615912
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1ccc(cc1)c1ccccc1)c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C30H20O4/c1-32-23-13-11-21(12-14-23)24-16-30(31)34-29-17-28-26(15-25(24)29)27(18-33-28)22-9-7-20(8-10-22)19-5-3-2-4-6-19/h2-18H,1H3
• InChIKey: YENIBFOYDCZKAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250980
• PubChem CID: 1798662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.512461
• LogD (pH = 7.4): 6.512461
• Log P: 6.512461
• Molar Refractivity: 140.678 cm^3
• Polarizability: 54.25867 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