3-(4-bromophenyl)-9-methyl-5-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 192141
• Molecular Formular: C24H15BrO3
• Molecular Mass: 431.2781
• Monoisotopic Mass: 430.02045634
• SMILES: c12c(c(c3c(c(co3)c3ccc(cc3)Br)c2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Brc1ccc(cc1)c1coc2c1cc1c(cc(=O)oc1c2C)c1ccccc1
• InChI: InChI=1S/C24H15BrO3/c1-14-23-20(21(13-27-23)16-7-9-17(25)10-8-16)11-19-18(12-22(26)28-24(14)19)15-5-3-2-4-6-15/h2-13H,1H3
• InChIKey: MVSQKTWQMHBQEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenyl)-9-methyl-5-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(4-bromophenyl)-9-methyl-5-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164248051
• PubChem CID: 1776293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.305081
• LogD (pH = 7.4): 6.305081
• Log P: 6.305081
• Molar Refractivity: 121.7426 cm^3
• Polarizability: 45.015743 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