bis[1-(4-bromophenyl)cyclopentyl]methanone

• ChemBase ID: 796208
• Molecular Formular: C23H24Br2O
• Molecular Mass: 476.24406
• Monoisotopic Mass: 474.01938939
• SMILES: C(=O)(C1(CCCC1)c1ccc(cc1)Br)C1(CCCC1)c1ccc(cc1)Br
• Canonical SMILES: O=C(C1(CCCC1)c1ccc(cc1)Br)C1(CCCC1)c1ccc(cc1)Br
• InChI: InChI=1S/C23H24Br2O/c24-19-9-5-17(6-10-19)22(13-1-2-14-22)21(26)23(15-3-4-16-23)18-7-11-20(25)12-8-18/h5-12H,1-4,13-16H2
• InChIKey: PPIFBTWYKQJNMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[1-(4-bromophenyl)cyclopentyl]methanone
• IUPAC Traditional name: bis[1-(4-bromophenyl)cyclopentyl]methanone
• Synonyms: (4-bromophenyl)cyclopentyl ketone

Database IDs

• CAS Number: 2204-97-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.361289
• LogD (pH = 7.4): 8.361289
• Log P: 8.361289
• Molar Refractivity: 113.8348 cm^3
• Polarizability: 44.231915 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%