ChemSpider 2D Image | 4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[(1-hydroxycyclohexyl)methoxy]benzyl}-4-azepanol | C29H41NO4

4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[(1-hydroxycyclohexyl)methoxy]benzyl}-4-azepanol

  • Molecular FormulaC29H41NO4
  • Average mass467.640 Da
  • Monoisotopic mass467.303558 Da
  • ChemSpider ID68717662

More details:

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

1H-Azepin-4-ol, 4-[(2,4-dimethylphenoxy)methyl]hexahydro-1-[[4-[(1-hydroxycyclohexyl)methoxy]phenyl]methyl]- [ACD/Index Name]
4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[(1-hydroxycyclohexyl)methoxy]benzyl}-4-azepanol [German] [ACD/IUPAC Name]
4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[(1-hydroxycyclohexyl)methoxy]benzyl}-4-azepanol [ACD/IUPAC Name]
4-[(2,4-Diméthylphénoxy)méthyl]-1-{4-[(1-hydroxycyclohexyl)méthoxy]benzyl}-4-azépanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 4.98
ACD/KOC (pH 5.5): 19.25
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 228.69
ACD/KOC (pH 7.4): 883.96
Polar Surface Area: 62 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 412.9±3.0 cm3

Click to predict properties on the Chemicalize site


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