1-(2-phenylphenyl)ethan-1-ol

• ChemBase ID: 266327
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(c(C(O)C)cccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1c1ccccc1)O
• InChI: InChI=1S/C14H14O/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-11,15H,1H3
• InChIKey: ZCJANMPFIVCFCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylphenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2-phenylphenyl)ethanol
• Synonyms: 1-(2-phenylphenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD15209649
• PubChem SID: 164322237
• PubChem CID: 264324

CALCULATED PROPERTIES

• Acid pKa: 14.903516
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2696965
• LogD (pH = 7.4): 3.2696965
• Log P: 3.2696965
• Molar Refractivity: 62.4289 cm^3
• Polarizability: 25.716602 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 3.001

Product Information

• Purity: 95%