ChemSpider 2D Image | 1-{[4-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]methyl}cyclohexanol | C29H41NO4

1-{[4-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]methyl}cyclohexanol

  • Molecular FormulaC29H41NO4
  • Average mass467.640 Da
  • Monoisotopic mass467.303558 Da
  • ChemSpider ID68390059

More details:

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

1-{[4-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]methyl}cyclohexanol [German] [ACD/IUPAC Name]
1-{[4-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]methyl}cyclohexanol [ACD/IUPAC Name]
1-{[4-({4-[(2,4-Diméthylphénoxy)méthyl]-4-méthoxy-1-pipéridinyl}méthyl)phénoxy]méthyl}cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[[4-[[4-[(2,4-dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl]methyl]phenoxy]methyl]- [ACD/Index 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: 584.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 44.94
ACD/KOC (pH 5.5): 132.67
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2086.14
ACD/KOC (pH 7.4): 6158.34
Polar Surface Area: 51 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 410.4±5.0 cm3

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