4-phenylquinolin-2-ol

• ChemBase ID: 232346
• Molecular Formular: C15H11NO
• Molecular Mass: 221.25394
• Monoisotopic Mass: 221.08406398
• SMILES: c1(c2c(nc(c1)O)cccc2)c1ccccc1
• Canonical SMILES: Oc1nc2ccccc2c(c1)c1ccccc1
• InChI: InChI=1S/C15H11NO/c17-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-10H,(H,16,17)
• InChIKey: QKQNVNSIRYIHDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylquinolin-2-ol
• IUPAC Traditional name: 4-phenylquinolin-2-ol
• Synonyms: 4-Phenyl-quinolin-2-ol

Database IDs

• CAS Number: 5855-57-2
• MDL Number: MFCD00179414
• PubChem SID: 164288256
• PubChem CID: 375912

CALCULATED PROPERTIES

• Acid pKa: 11.736903
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.068885
• LogD (pH = 7.4): 4.0689964
• Log P: 4.069018
• Molar Refractivity: 67.4099 cm^3
• Polarizability: 28.700987 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 2.7

Product Information

• Purity: 95%