(2-chlorophenyl)(2,5-dimethylphenyl)methanone

• ChemBase ID: 282749
• Molecular Formular: C15H13ClO
• Molecular Mass: 244.71612
• Monoisotopic Mass: 244.06549272
• SMILES: C(=O)(c1c(ccc(c1)C)C)c1c(Cl)cccc1
• Canonical SMILES: Cc1ccc(c(c1)C(=O)c1ccccc1Cl)C
• InChI: InChI=1S/C15H13ClO/c1-10-7-8-11(2)13(9-10)15(17)12-5-3-4-6-14(12)16/h3-9H,1-2H3
• InChIKey: JUVLZKBPCAPPMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(2,5-dimethylphenyl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(2,5-dimethylphenyl)methanone
• Synonyms: (2-chlorophenyl)(2,5-dimethylphenyl)methanone

Database IDs

• MDL Number: MFCD00156823
• PubChem SID: 180668280
• PubChem CID: 11322527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.063486
• LogD (pH = 7.4): 5.063486
• Log P: 5.063486
• Molar Refractivity: 71.5207 cm^3
• Polarizability: 27.389467 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.707

Product Information

• Purity: 95%