ChemSpider 2D Image | 5-Chloro-4-{[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-2-methoxyphenol | C21H33ClN2O3

5-Chloro-4-{[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-2-methoxyphenol

  • Molecular FormulaC21H33ClN2O3
  • Average mass396.951 Da
  • Monoisotopic mass396.217957 Da
  • ChemSpider ID22180021

More details:






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

2-Piperazineethanol, 4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]-1-(cyclohexylmethyl)- [ACD/Index Name]
5-Chlor-4-{[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-2-methoxyphenol [German] [ACD/IUPAC Name]
5-Chloro-4-{[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-2-methoxyphenol [ACD/IUPAC Name]
5-Chloro-4-{[4-(cyclohexylméthyl)-3-(2-hydroxyéthyl)-1-pipérazinyl]méthyl}-2-méthoxyphénol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.0±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 9.54
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 50.01
ACD/KOC (pH 7.4): 424.71
Polar Surface Area: 56 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 336.4±3.0 cm3

Click to predict properties on the Chemicalize site






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