(2-chlorophenyl)diphenylmethanol

• ChemBase ID: 164509
• Molecular Formular: C19H15ClO
• Molecular Mass: 294.7748
• Monoisotopic Mass: 294.08114278
• SMILES: c1ccc(c(c1)C(c1ccccc1)(c1ccccc1)O)Cl
• Canonical SMILES: Clc1ccccc1C(c1ccccc1)(c1ccccc1)O
• InChI: InChI=1S/C19H15ClO/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H
• InChIKey: KTVAHLGKTSPDOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)diphenylmethanol
• IUPAC Traditional name: tram-3
• Synonyms: 8-(p-Chlorophenyl)-1,4-dioxaspiro[4.5]decane; 4-(4-Chlorophenyl)cyclohexan-1-one Ethylene Ketal; 8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]decane

Database IDs

• CAS Number: 25253-51-4
• PubChem SID: 162258644
• PubChem CID: 298659

CALCULATED PROPERTIES

• Acid pKa: 12.566479
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2424226
• LogD (pH = 7.4): 5.2424197
• Log P: 5.2424226
• Molar Refractivity: 88.1163 cm^3
• Polarizability: 33.855537 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: White Solid