(2,4-dimethylphenyl)(4-fluorophenyl)methanol

• ChemBase ID: 169186
• Molecular Formular: C15H15FO
• Molecular Mass: 230.2774032
• Monoisotopic Mass: 230.11069332
• SMILES: c1cc(ccc1C(c1ccc(cc1C)C)O)F
• Canonical SMILES: Fc1ccc(cc1)C(c1ccc(cc1C)C)O
• InChI: InChI=1S/C15H15FO/c1-10-3-8-14(11(2)9-10)15(17)12-4-6-13(16)7-5-12/h3-9,15,17H,1-2H3
• InChIKey: NHZCILHYYQVWCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethylphenyl)(4-fluorophenyl)methanol
• IUPAC Traditional name: (2,4-dimethylphenyl)(4-fluorophenyl)methanol
• Synonyms: (2,4-Dimethylphenyl)(4-fluorophenyl)methanol; α-(4-Fluorophenyl)-2,4-dimethylbenzenemethanol

Database IDs

• CAS Number: 356040-80-7
• PubChem SID: 162263318
• PubChem CID: 9899421

CALCULATED PROPERTIES

• Acid pKa: 13.753144
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.159681
• LogD (pH = 7.4): 4.159681
• Log P: 4.159681
• Molar Refractivity: 67.4555 cm^3
• Polarizability: 25.548456 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Light Yellow Liquid