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

• ChemBase ID: 191322
• Molecular Formular: C24H16O4
• Molecular Mass: 368.38144
• Monoisotopic Mass: 368.10485899
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1cc(OC)ccc1)c2)c1ccccc1
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(c2)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C24H16O4/c1-26-17-9-5-8-16(10-17)21-14-27-22-13-23-19(11-20(21)22)18(12-24(25)28-23)15-6-3-2-4-7-15/h2-14H,1H3
• InChIKey: TYSQJMUESKZBTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247232
• PubChem CID: 1769657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.865236
• LogD (pH = 7.4): 4.865236
• Log P: 4.865236
• Molar Refractivity: 115.5418 cm^3
• Polarizability: 43.19881 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds