(4-chlorophenyl)(4-methoxyphenyl)methanol

• ChemBase ID: 239869
• Molecular Formular: C14H13ClO2
• Molecular Mass: 248.70482
• Monoisotopic Mass: 248.06040734
• SMILES: C(c1ccc(cc1)OC)(c1ccc(cc1)Cl)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)Cl)O
• InChI: InChI=1S/C14H13ClO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3
• InChIKey: NXYTXXDCDYWBOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(4-methoxyphenyl)methanol
• IUPAC Traditional name: (4-chlorophenyl)(4-methoxyphenyl)methanol
• Synonyms: (4-chlorophenyl)(4-methoxyphenyl)methanol

Database IDs

• MDL Number: MFCD06201295
• PubChem SID: 164295779
• PubChem CID: 2757631

CALCULATED PROPERTIES

• Acid pKa: 13.714244
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4365096
• LogD (pH = 7.4): 3.4365094
• Log P: 3.4365096
• Molar Refractivity: 68.4247 cm^3
• Polarizability: 26.747183 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.084

Product Information

• Purity: 95%