cyclopropyldiphenylmethanol

• ChemBase ID: 107749
• Molecular Formular: C16H16O
• Molecular Mass: 224.29764
• Monoisotopic Mass: 224.12011513
• SMILES: OC(C1CC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)C1CC1
• InChI: InChI=1S/C16H16O/c17-16(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
• InChIKey: MFKPHBJFWOOEDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyldiphenylmethanol
• IUPAC Traditional name: cyclopropyldiphenylmethanol
• Synonyms: Cyclopropyldiphenylmethanol; alpha-Cyclopropylbenzhydrol; Cyclopropyl diphenyl carbinol; DIPHENYL CYCLOPROPYL CARBINOL; 环丙基二苯甲醇; 环丙基二苯基甲醇

Database IDs

• CAS Number: 5785-66-0
• EC Number: 227-312-1
• MDL Number: MFCD00001298
• Beilstein Number: 1958265
• PubChem SID: 24892376; 162106077
• PubChem CID: 79850

CALCULATED PROPERTIES

• Acid pKa: 13.223542
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5557625
• LogD (pH = 7.4): 3.555762
• Log P: 3.5557625
• Molar Refractivity: 69.1893 cm^3
• Polarizability: 27.221205 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-87°C; 84-87 °C(lit.)

Safety Information

• RTECS: PC1950000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98+%
• Linear Formula: C3H5C(C6H5)2OH

DETAILS

MP Biomedicals - 05204886

MP Biomedicals Rare Chemical collection