ChemSpider 2D Image | cis-1-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)-4-phenylcyclohexanol | C28H39NO3

cis-1-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)-4-phenylcyclohexanol

  • Molecular FormulaC28H39NO3
  • Average mass437.614 Da
  • Monoisotopic mass437.292999 Da
  • ChemSpider ID68414855

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-1-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)-4-phenylcyclohexanol [German] [ACD/IUPAC Name]
cis-1-({4-[(2,4-Dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)-4-phenylcyclohexanol [ACD/IUPAC Name]
cis-1-({4-[(2,4-Diméthylphénoxy)méthyl]-4-méthoxy-1-pipéridinyl}méthyl)-4-phénylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[[4-[(2,4-dimethylphenoxy)methyl]-4-methoxy-1-piperidinyl]methyl]-4-phenyl-, cis- [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: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 79.47
ACD/KOC (pH 5.5): 175.51
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 4016.47
ACD/KOC (pH 7.4): 8869.76
Polar Surface Area: 42 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 389.3±5.0 cm3

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