2-methyl-6-phenoxyquinolin-4-ol

• ChemBase ID: 244280
• Molecular Formular: C16H13NO2
• Molecular Mass: 251.27992
• Monoisotopic Mass: 251.09462866
• SMILES: c12c(nc(cc1O)C)ccc(c2)Oc1ccccc1
• Canonical SMILES: Cc1cc(O)c2c(n1)ccc(c2)Oc1ccccc1
• InChI: InChI=1S/C16H13NO2/c1-11-9-16(18)14-10-13(7-8-15(14)17-11)19-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)
• InChIKey: ZBSNECQPGWJIGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-phenoxyquinolin-4-ol
• IUPAC Traditional name: 2-methyl-6-phenoxyquinolin-4-ol
• Synonyms: 2-methyl-6-phenoxyquinolin-4-ol

Database IDs

• MDL Number: MFCD03847529
• PubChem SID: 164300190
• PubChem CID: 734518

CALCULATED PROPERTIES

• Acid pKa: 10.829648
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.457019
• LogD (pH = 7.4): 3.4588082
• Log P: 3.4589925
• Molar Refractivity: 72.7925 cm^3
• Polarizability: 29.68143 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.913

Product Information

• Purity: 95%