quinolin-2-ylmethanol

• ChemBase ID: 80526
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1c(ccc2c1cccc2)CO
• Canonical SMILES: OCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H9NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6,12H,7H2
• InChIKey: HREHOXSRYOZKNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-2-ylmethanol
• IUPAC Traditional name: quinolin-2-ylmethanol
• Synonyms: quinolin-2-ylmethanol; (Quinolin-2-yl)methanol; 2-(Hydroxymethyl)quinoline

Database IDs

• CAS Number: 1780-17-2
• MDL Number: MFCD00086626
• PubChem SID: 162067646
• PubChem CID: 73196

CALCULATED PROPERTIES

• Acid pKa: 14.247555
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4285256
• LogD (pH = 7.4): 1.4448107
• Log P: 1.4450226
• Molar Refractivity: 46.273 cm^3
• Polarizability: 19.453104 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 0.991

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%