3-(2H-1,3-benzodioxol-5-yl)-5-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187533
• Molecular Formular: C24H14O5
• Molecular Mass: 382.36496
• Monoisotopic Mass: 382.08412355
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1cc3c(OCO3)cc1)c2)c1ccccc1
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1)c1ccccc1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H14O5/c25-24-10-16(14-4-2-1-3-5-14)17-9-18-19(12-26-21(18)11-22(17)29-24)15-6-7-20-23(8-15)28-13-27-20/h1-12H,13H2
• InChIKey: CDNFREJAKMEVKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2H-1,3-benzodioxol-5-yl)-5-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(2H-1,3-benzodioxol-5-yl)-5-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243443
• PubChem CID: 1765149

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6461406
• LogD (pH = 7.4): 4.6461406
• Log P: 4.6461406
• Molar Refractivity: 114.8455 cm^3
• Polarizability: 43.096478 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds