(4-methoxyphenyl)(phenyl)methanol

• ChemBase ID: 301852
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: COc1ccc(cc1)C(c1ccccc1)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)O
• InChI: InChI=1S/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
• InChIKey: BEGZWXVLBIZFKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(phenyl)methanol
• IUPAC Traditional name: (4-methoxyphenyl)(phenyl)methanol
• Synonyms: 4-Methoxydiphenylmethanol; 4-Methoxyphenyl phenyl carbinol; 4-Methoxybenzhydrol; 4-甲氧基二苯甲醇

Database IDs

• CAS Number: 720-44-5
• EC Number: 211-953-9
• MDL Number: MFCD00014398
• Beilstein Number: 3202445

CALCULATED PROPERTIES

• Acid pKa: 13.754414
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.832465
• LogD (pH = 7.4): 2.8324647
• Log P: 2.832465
• Molar Refractivity: 63.6199 cm^3
• Polarizability: 24.905209 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-68°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%