ChemSpider 2D Image | 1-{3-[4-({4-[(2-Chloro-5-methylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinone | C29H35ClN2O4

1-{3-[4-({4-[(2-Chloro-5-methylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinone

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID68410769

More details:

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

1-{3-[4-({4-[(2-Chlor-5-methylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1-{3-[4-({4-[(2-Chloro-5-methylphenoxy)methyl]-4-hydroxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
1-{3-[4-({4-[(2-Chloro-5-méthylphénoxy)méthyl]-4-hydroxy-1-pipéridinyl}méthyl)phénoxy]propyl}-5-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1-[3-[4-[[4-[(2-chloro-5-methylphenoxy)methyl]-4-hydroxy-1-piperidinyl]methyl]phenoxy]propyl]-5-methyl- [ACD/Index Name]
1-[3-(4-{[4-(2-CHLORO-5-METHYLPHENOXYMETHYL)-4-HYDROXYPIPERIDIN-1-YL]METHYL}PHENOXY)PROPYL]-5-METHYLPYRIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 32.61
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 391.98
ACD/KOC (pH 7.4): 1655.32
Polar Surface Area: 62 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 420.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement