ChemSpider 2D Image | {7-[(1S)-1-(4-Hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl}acetonitrile | C19H18N2O2

{7-[(1S)-1-(4-Hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl}acetonitrile

  • Molecular FormulaC19H18N2O2
  • Average mass306.358 Da
  • Monoisotopic mass306.136841 Da
  • ChemSpider ID28521792
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{7-[(1S)-1-(4-Hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl}acetonitril [German] [ACD/IUPAC Name]
{7-[(1S)-1-(4-Hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl}acetonitrile [ACD/IUPAC Name]
{7-[(1S)-1-(4-Hydroxyphényl)éthyl]-4-méthoxy-1H-indol-3-yl}acétonitrile [French] [ACD/IUPAC Name]
1H-Indole-3-acetonitrile, 7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 560.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 292.6±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.75
ACD/KOC (pH 5.5): 2155.61
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.07
ACD/KOC (pH 7.4): 2151.03
Polar Surface Area: 69 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 247.2±3.0 cm3

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