4-chloro-2-(quinolin-3-yl)phenol

• ChemBase ID: 685335
• Molecular Formular: C15H10ClNO
• Molecular Mass: 255.699
• Monoisotopic Mass: 255.04509163
• SMILES: c1(c2cc3c(nc2)cccc3)c(ccc(c1)Cl)O
• Canonical SMILES: Clc1ccc(c(c1)c1cnc2c(c1)cccc2)O
• InChI: InChI=1S/C15H10ClNO/c16-12-5-6-15(18)13(8-12)11-7-10-3-1-2-4-14(10)17-9-11/h1-9,18H
• InChIKey: SFIBXQAOLIPFPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(quinolin-3-yl)phenol
• IUPAC Traditional name: 4-chloro-2-(quinolin-3-yl)phenol
• Synonyms: 4-chloro-2-quinolin-3-ylphenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.537103
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0676074
• LogD (pH = 7.4): 4.048096
• Log P: 4.078605
• Molar Refractivity: 71.9012 cm^3
• Polarizability: 30.43332 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.83
• LOG S: -3.76
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1