quinolin-3-ylmethanol hydrochloride

• ChemBase ID: 239981
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: n1c2c(cc(c1)CO)cccc2.Cl
• Canonical SMILES: OCc1cnc2c(c1)cccc2.Cl
• InChI: InChI=1S/C10H9NO.ClH/c12-7-8-5-9-3-1-2-4-10(9)11-6-8;/h1-6,12H,7H2;1H
• InChIKey: CVDBLIOLWUWHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-3-ylmethanol hydrochloride
• IUPAC Traditional name: quinolin-3-ylmethanol hydrochloride
• Synonyms: quinolin-3-ylmethanol hydrochloride

Database IDs

• MDL Number: MFCD22378781
• PubChem SID: 164295891
• PubChem CID: 19909631

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 14.706145
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3480942
• LogD (pH = 7.4): 1.3633523
• Log P: 1.3635507
• Molar Refractivity: 46.7952 cm^3
• Polarizability: 19.45201 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.441

Product Information

• Purity: 95%