4-methylquinolin-8-ol

• ChemBase ID: 180199
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c12c(c(ccn1)C)cccc2O
• Canonical SMILES: Cc1ccnc2c1cccc2O
• InChI: InChI=1S/C10H9NO/c1-7-5-6-11-10-8(7)3-2-4-9(10)12/h2-6,12H,1H3
• InChIKey: OYUKRQOCPFZNHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3846-73-9
• MDL Number: MFCD02170459
• PubChem SID: 164236109
• PubChem CID: 345169

CALCULATED PROPERTIES

• Acid pKa: 9.36688
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0244606
• LogD (pH = 7.4): 2.3261287
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.362856 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%