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

• ChemBase ID: 186568
• Molecular Formular: C23H13ClO3
• Molecular Mass: 372.80052
• Monoisotopic Mass: 372.05532196
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1ccc(cc1)Cl)c2)c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C23H13ClO3/c24-16-8-6-15(7-9-16)20-13-26-21-12-22-18(10-19(20)21)17(11-23(25)27-22)14-4-2-1-3-5-14/h1-13H
• InChIKey: FIIKFLHGFUYOGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242478
• PubChem CID: 1801680

CALCULATED PROPERTIES

• Log P: 5.6269517
• Molar Refractivity: 113.8834 cm^3
• Polarizability: 42.51688 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6269517
• LogD (pH = 7.4): 5.6269517

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds