ChemSpider 2D Image | 4-[2-(2-Hydroxy-5-nitrophenyl)-5,6-dimethoxy-1H-benzimidazol-1-yl]-2,6-bis(2-methyl-2-propanyl)phenol | C29H33N3O6

4-[2-(2-Hydroxy-5-nitrophenyl)-5,6-dimethoxy-1H-benzimidazol-1-yl]-2,6-bis(2-methyl-2-propanyl)phenol

  • Molecular FormulaC29H33N3O6
  • Average mass519.589 Da
  • Monoisotopic mass519.236938 Da
  • ChemSpider ID21510594

More details:

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

4-[2-(2-Hydroxy-5-nitrophenyl)-5,6-dimethoxy-1H-benzimidazol-1-yl]-2,6-bis(2-methyl-2-propanyl)phenol [ACD/IUPAC Name]
4-[2-(2-Hydroxy-5-nitrophenyl)-5,6-dimethoxy-1H-benzimidazol-1-yl]-2,6-bis(2-methyl-2-propanyl)phenol [German] [ACD/IUPAC Name]
4-[2-(2-Hydroxy-5-nitrophényl)-5,6-diméthoxy-1H-benzimidazol-1-yl]-2,6-bis(2-méthyl-2-propanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(2-hydroxy-5-nitrophenyl)-5,6-dimethoxy-1H-benzimidazol-1-yl]- [ACD/Index Name]
2,6-di-tert-butyl-4-[2-(2-hydroxy-5-nitrophenyl)-5,6-dimethoxy-1H-benzimidazol-1-yl]phenol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 355.3±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 119236.93
ACD/KOC (pH 5.5): 125197.65
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 3446.06
ACD/KOC (pH 7.4): 3618.33
Polar Surface Area: 123 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 416.9±7.0 cm3

Click to predict properties on the Chemicalize site


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