3-(4-chlorophenyl)-4-methyl-9-phenyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 187030
• Molecular Formular: C24H15ClO3
• Molecular Mass: 386.8271
• Monoisotopic Mass: 386.07097202
• SMILES: c12c(cc(=O)oc2cc(c2c1occ2c1ccc(cc1)Cl)C)c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)c1coc2c1c(C)cc1c2c(cc(=O)o1)c1ccccc1
• InChI: InChI=1S/C24H15ClO3/c1-14-11-20-23(18(12-21(26)28-20)15-5-3-2-4-6-15)24-22(14)19(13-27-24)16-7-9-17(25)10-8-16/h2-13H,1H3
• InChIKey: ZAUSEHWNOJJGFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)-4-methyl-9-phenyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 3-(4-chlorophenyl)-4-methyl-9-phenylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164242940
• PubChem CID: 1757061

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.140373
• LogD (pH = 7.4): 6.140373
• Log P: 6.140373
• Molar Refractivity: 118.9246 cm^3
• Polarizability: 44.284626 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds