(2-chlorophenyl)(4-fluoro-3-methylphenyl)methanone

• ChemBase ID: 279373
• Molecular Formular: C14H10ClFO
• Molecular Mass: 248.6800032
• Monoisotopic Mass: 248.04042084
• SMILES: C(=O)(c1c(Cl)cccc1)c1cc(c(cc1)F)C
• Canonical SMILES: Clc1ccccc1C(=O)c1ccc(c(c1)C)F
• InChI: InChI=1S/C14H10ClFO/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15/h2-8H,1H3
• InChIKey: DGGVFSJQDNUMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-fluoro-3-methylphenyl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(4-fluoro-3-methylphenyl)methanone
• Synonyms: (2-chlorophenyl)(4-fluoro-3-methylphenyl)methanone

Database IDs

• MDL Number: MFCD09801642
• PubChem SID: 164335283
• PubChem CID: 24723260

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6927667
• LogD (pH = 7.4): 4.6927667
• Log P: 4.6927667
• Molar Refractivity: 66.6959 cm^3
• Polarizability: 25.280182 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.377

Product Information

• Purity: 95%