4-[phenyl(14C)methyl]phenol

• ChemBase ID: 170411
• Molecular Formular: C13H12O
• Molecular Mass: 186.22632199
• Monoisotopic Mass: 186.09205699
• SMILES: c1cccc(c1)[14CH2]c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)[14CH2]c1ccccc1
• InChI: InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2/i10+2
• InChIKey: HJSPWKGEPDZNLK-HRVHXUPCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[phenyl(^1^4C)methyl]phenol
• IUPAC Traditional name: 4-[phenyl(^1^4C)methyl]phenol
• Synonyms: 4-Hydroxyditane-14C; α-Phenyl-p-cresol-14C; p-Benzylphenol-14C; 4-Hydroxydiphenylmethane-14C

Database IDs

• PubChem SID: 164226321
• PubChem CID: 45039441

CALCULATED PROPERTIES

• Acid pKa: 10.137632
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7614646
• LogD (pH = 7.4): 3.7606852
• Log P: 3.7614746
• Molar Refractivity: 57.7761 cm^3
• Polarizability: 22.337873 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; THF; Toluene
• Apperance: White Cyrstalline Solid

DETAILS

Toronto Research Chemicals - H941707

Sp.Act. 0.047mCi/mg.