4-methylquinolin-3-ol

• ChemBase ID: 797055
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1cc2c(cc1)c(c(cn2)O)C
• Canonical SMILES: Oc1cnc2c(c1C)cccc2
• InChI: InChI=1S/C10H9NO/c1-7-8-4-2-3-5-9(8)11-6-10(7)12/h2-6,12H,1H3
• InChIKey: UCYWRHDNJCNVNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylquinolin-3-ol
• IUPAC Traditional name: 4-methylquinolin-3-ol
• Synonyms: 4-Methylquinolin-3-ol

Database IDs

• CAS Number: 6220-93-5

CALCULATED PROPERTIES

• Acid pKa: 10.075379
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1212351
• LogD (pH = 7.4): 2.3360472
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.357931 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%