3-methylquinolin-4-ol

• ChemBase ID: 804772
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1cc2c(cc1)c(c(cn2)C)O
• Canonical SMILES: Cc1cnc2c(c1O)cccc2
• InChI: InChI=1S/C10H9NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-6H,1H3,(H,11,12)
• InChIKey: MEBYZSAQFUZJEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylquinolin-4-ol
• IUPAC Traditional name: 3-methylquinolin-4-ol
• Synonyms: 3-METHYLQUINOLIN-4-OL

Database IDs

• CAS Number: 64965-46-4

CALCULATED PROPERTIES

• Acid pKa: 11.007054
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3390608
• LogD (pH = 7.4): 2.340629
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.359211 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%