2-(4-phenylbenzoyl)benzoyl chloride

• ChemBase ID: 252699
• Molecular Formular: C20H13ClO2
• Molecular Mass: 320.76902
• Monoisotopic Mass: 320.06040734
• SMILES: c1(C(=O)c2ccc(cc2)c2ccccc2)c(C(=O)Cl)cccc1
• Canonical SMILES: O=C(c1ccccc1C(=O)Cl)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H13ClO2/c21-20(23)18-9-5-4-8-17(18)19(22)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
• InChIKey: AYRZTWPSDNSAQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylbenzoyl)benzoyl chloride
• IUPAC Traditional name: 2-(4-phenylbenzoyl)benzoyl chloride
• Synonyms: 2-(1,1'-biphenyl-4-ylcarbonyl)benzoyl chloride

Database IDs

• MDL Number: MFCD08444494
• PubChem SID: 164308609
• PubChem CID: 13200659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2707367
• LogD (pH = 7.4): 5.2707367
• Log P: 5.2707367
• Molar Refractivity: 92.8844 cm^3
• Polarizability: 36.69997 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.492

Product Information

• Purity: 95%