8-methylquinolin-4-ol

• ChemBase ID: 43892
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c12c(nccc1O)c(ccc2)C
• Canonical SMILES: Oc1ccnc2c1cccc2C
• InChI: InChI=1S/C10H9NO/c1-7-3-2-4-8-9(12)5-6-11-10(7)8/h2-6H,1H3,(H,11,12)
• InChIKey: HTISUYZVEWQIMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylquinolin-4-ol
• IUPAC Traditional name: 8-methylquinolin-4-ol
• Synonyms: 8-Methyl-4-quinolinol; 8-Methylquinolin-4-ol; 4-Hydroxy-8-methylquinoline

Database IDs

• CAS Number: 23432-44-2
• MDL Number: MFCD00272344
• PubChem SID: 162048655
• PubChem CID: 12807830

CALCULATED PROPERTIES

• Acid pKa: 10.921556
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3399715
• LogD (pH = 7.4): 2.340618
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.360003 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215 °C; 213-215°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 98%