6-methoxy-2-phenylquinolin-4-ol

• ChemBase ID: 813619
• Molecular Formular: C16H13NO2
• Molecular Mass: 251.27992
• Monoisotopic Mass: 251.09462866
• SMILES: c1cc2c(cc1OC)c(cc(n2)c1ccccc1)O
• Canonical SMILES: COc1ccc2c(c1)c(O)cc(n2)c1ccccc1
• InChI: InChI=1S/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
• InChIKey: CKFBIYVXNYYXAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-phenylquinolin-4-ol
• IUPAC Traditional name: 6-methoxy-2-phenylquinolin-4-ol
• Synonyms: 4-HYDROXY-6-METHOXY-2-PHENYLQUINOLINE

Database IDs

• CAS Number: 17282-70-1

CALCULATED PROPERTIES

• Acid pKa: 10.737504
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7024305
• LogD (pH = 7.4): 3.7025392
• Log P: 3.7027395
• Molar Refractivity: 73.1876 cm^3
• Polarizability: 31.129818 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%