7-methoxy-4-phenylquinolin-2-ol

• ChemBase ID: 232058
• Molecular Formular: C16H13NO2
• Molecular Mass: 251.27992
• Monoisotopic Mass: 251.09462866
• SMILES: c12nc(cc(c1ccc(c2)OC)c1ccccc1)O
• Canonical SMILES: COc1ccc2c(c1)nc(cc2c1ccccc1)O
• InChI: InChI=1S/C16H13NO2/c1-19-12-7-8-13-14(11-5-3-2-4-6-11)10-16(18)17-15(13)9-12/h2-10H,1H3,(H,17,18)
• InChIKey: SASFZIYJZPZALO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-phenylquinolin-2-ol
• IUPAC Traditional name: 7-methoxy-4-phenylquinolin-2-ol
• Synonyms: 7-Methoxy-4-phenyl-quinolin-2-ol

Database IDs

• CAS Number: 30034-43-6
• MDL Number: MFCD00843900
• PubChem SID: 164287968
• PubChem CID: 722718

CALCULATED PROPERTIES

• Acid pKa: 11.793738
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9110203
• LogD (pH = 7.4): 3.9113252
• Log P: 3.9113467
• Molar Refractivity: 73.8731 cm^3
• Polarizability: 31.131163 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 - 242°C
• Hydrophobicity(logP): 2.896

Product Information

• Purity: 95%