ChemSpider 2D Image | 3-(6-(benzyloxy)-1H-indol-1-yl)propanoic acid | C18H17NO3

3-(6-(benzyloxy)-1H-indol-1-yl)propanoic acid

  • Molecular FormulaC18H17NO3
  • Average mass295.332 Da
  • Monoisotopic mass295.120850 Da
  • ChemSpider ID24600485

More details:

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

1219551-00-4 [RN]
1H-Indole-1-propanoic acid, 6-(phenylmethoxy)- [ACD/Index Name]
3-(6-(benzyloxy)-1H-indol-1-yl)propanoic acid
3-[6-(Benzyloxy)-1H-indol-1-yl]propanoic acid [ACD/IUPAC Name]
3-[6-(Benzyloxy)-1H-indol-1-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[6-(benzyloxy)-1H-indol-1-yl]propanoïque [French] [ACD/IUPAC Name]
1H-indole-1-propanoic acid, 6-(phenylmethoxy)
3-(6-Benzyloxy-indol-1-yl)-propionic acid
3-(6-phenylmethoxyindol-1-yl)propanoic acid
3-[6-(benzyloxy)indol-1-yl]propanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 523.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 270.4±25.9 °C
    Index of Refraction: 1.599
    Molar Refractivity: 84.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 33.29
    ACD/KOC (pH 5.5): 223.42
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.51
    Polar Surface Area: 51 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 46.6±7.0 dyne/cm
    Molar Volume: 248.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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