quinolin-8-ylmethanol

• ChemBase ID: 58751
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1cccc2c1c(ccc2)CO
• Canonical SMILES: OCc1cccc2c1nccc2
• InChI: InChI=1S/C10H9NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6,12H,7H2
• InChIKey: BGLZVNYGUGILJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-8-ylmethanol
• IUPAC Traditional name: quinolin-8-ylmethanol
• Synonyms: Quinolin-8-ylmethanol; 8-quinolinylmethanol

Database IDs

• CAS Number: 16032-35-2
• MDL Number: MFCD00769488
• PubChem SID: 162063514
• PubChem CID: 594412

CALCULATED PROPERTIES

• Acid pKa: 14.998143
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3507522
• LogD (pH = 7.4): 1.363387
• Log P: 1.3635507
• Molar Refractivity: 46.7952 cm^3
• Polarizability: 19.45298 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false