1-(quinolin-2-yl)propan-2-ol

• ChemBase ID: 284876
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: n1c2c(ccc1CC(O)C)cccc2
• Canonical SMILES: CC(Cc1ccc2c(n1)cccc2)O
• InChI: InChI=1S/C12H13NO/c1-9(14)8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7,9,14H,8H2,1H3
• InChIKey: DKGXPEAAAIRCLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(quinolin-2-yl)propan-2-ol
• IUPAC Traditional name: 1-(quinolin-2-yl)propan-2-ol
• Synonyms: 1-(quinolin-2-yl)propan-2-ol

Database IDs

• MDL Number: MFCD18289984
• PubChem SID: 180670407
• PubChem CID: 19432910

CALCULATED PROPERTIES

• Acid pKa: 15.39953
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.050175
• LogD (pH = 7.4): 2.0979645
• Log P: 2.0986104
• Molar Refractivity: 55.3912 cm^3
• Polarizability: 23.067673 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 1.529

Product Information

• Purity: 95%