ChemSpider 2D Image | 2-[4-({4-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]-1-(4-morpholinyl)ethanone | C27H35ClN2O5

2-[4-({4-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]-1-(4-morpholinyl)ethanone

  • Molecular FormulaC27H35ClN2O5
  • Average mass503.030 Da
  • Monoisotopic mass502.223450 Da
  • ChemSpider ID68417570

More details:

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

2-[4-({4-[(4-Chlor-3,5-dimethylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]-1-(4-morpholinyl)ethanon [German] [ACD/IUPAC Name]
2-[4-({4-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]-1-(4-morpholinyl)ethanone [ACD/IUPAC Name]
2-[4-({4-[(4-Chloro-3,5-diméthylphénoxy)méthyl]-4-hydroxy-1-pipéridinyl}méthyl)phénoxy]-1-(4-morpholinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxy-1-piperidinyl]methyl]phenoxy]-1-(4-morpholinyl)- [ACD/Index 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: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.7±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 8.98
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 57.47
ACD/KOC (pH 7.4): 443.28
Polar Surface Area: 71 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

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