ChemSpider 2D Image | 2-(2-Isopropoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylic acid | C21H21NO3

2-(2-Isopropoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylic acid

  • Molecular FormulaC21H21NO3
  • Average mass335.396 Da
  • Monoisotopic mass335.152130 Da
  • ChemSpider ID21329863

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(2-Isopropoxyphenyl)-6,8-dimethyl-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
2-(2-Isopropoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylic acid [ACD/IUPAC Name]
2-(2-Isopropoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
4-Quinolinecarboxylic acid, 6,8-dimethyl-2-[2-(1-methylethoxy)phenyl]- [ACD/Index Name]
6,8-dimethyl-2-[2-(propan-2-yloxy)phenyl]quinoline-4-carboxylic acid
932796-19-5 [RN]
Acide 2-(2-isopropoxyphényl)-6,8-diméthyl-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]
6,8-dimethyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylic acid
VS-14171

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD03420084 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 493.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.0±3.0 kJ/mol
    Flash Point: 252.0±28.7 °C
    Index of Refraction: 1.615
    Molar Refractivity: 99.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.46
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 25.48
    ACD/KOC (pH 5.5): 69.29
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 6.58
    ACD/KOC (pH 7.4): 17.89
    Polar Surface Area: 59 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 284.5±3.0 cm3

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