ChemSpider 2D Image | {2-[(1R)-3-Hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl]-1H-indol-3-yl}acetic acid | C22H22N2O4

{2-[(1R)-3-Hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl]-1H-indol-3-yl}acetic acid

  • Molecular FormulaC22H22N2O4
  • Average mass378.421 Da
  • Monoisotopic mass378.157959 Da
  • ChemSpider ID35516896

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{2-[(1R)-3-Hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl]-1H-indol-3-yl}acetic acid [ACD/IUPAC Name]
{2-[(1R)-3-Hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl]-1H-indol-3-yl}essigsäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 2-[(1R)-3-hydroxy-1-(1H-indol-3-yl)-2-methoxypropyl]- [ACD/Index Name]
Acide {2-[(1R)-3-hydroxy-1-(1H-indol-3-yl)-2-méthoxypropyl]-1H-indol-3-yl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.3±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 19.22
ACD/KOC (pH 5.5): 147.11
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 98 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site


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