7-methylquinolin-4-ol

• ChemBase ID: 805325
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1(cc2c(cc1)c(ccn2)O)C
• Canonical SMILES: Cc1ccc2c(c1)nccc2O
• InChI: InChI=1S/C10H9NO/c1-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
• InChIKey: JPVTWKDGBWUNBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylquinolin-4-ol
• IUPAC Traditional name: 7-methylquinolin-4-ol
• Synonyms: 4-HYDROXY-7-METHYLQUINOLINE

Database IDs

• CAS Number: 82121-08-2

CALCULATED PROPERTIES

• Acid pKa: 10.717297
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3395252
• LogD (pH = 7.4): 2.340535
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.35814 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%