quinolin-5-ylmethanol

• ChemBase ID: 58752
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1cccc2c1cccc2CO
• Canonical SMILES: OCc1cccc2c1cccn2
• InChI: InChI=1S/C10H9NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h1-6,12H,7H2
• InChIKey: ZKPMQVSVRVORAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-5-ylmethanol
• IUPAC Traditional name: quinolin-5-ylmethanol
• Synonyms: Quinolin-5-ylmethanol; 5-quinolinylmethanol

Database IDs

• CAS Number: 16178-42-0
• MDL Number: MFCD00160574
• PubChem SID: 162063515
• PubChem CID: 823080

CALCULATED PROPERTIES

• Acid pKa: 15.129518
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3469076
• LogD (pH = 7.4): 1.3633368
• Log P: 1.3635507
• Molar Refractivity: 46.7952 cm^3
• Polarizability: 19.452528 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