6-methylquinolin-4-ol

• ChemBase ID: 309334
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c12c(nccc1O)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)ccn2
• InChI: InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
• InChIKey: PJEUKNUOCWNERE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinolin-4-ol
• IUPAC Traditional name: 6-methylquinolin-4-ol
• Synonyms: 4-HYDROXY-6-METHYLQUINOLINE; 6-methyl-4-quinolinol

Database IDs

• CAS Number: 23432-40-8
• MDL Number: MFCD00272343

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3398056
• LogD (pH = 7.4): 2.3405921
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.358438 Å^3
• Polar Surface Area: 33.12 Å^2
• Acid pKa: 10.848318
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%