ChemSpider 2D Image | 2,2'-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis(5-{[(2R)-2-ethylhexyl]oxy}phenol) | C38H49N3O5

2,2'-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis(5-{[(2R)-2-ethylhexyl]oxy}phenol)

  • Molecular FormulaC38H49N3O5
  • Average mass627.813 Da
  • Monoisotopic mass627.367249 Da
  • ChemSpider ID34993122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-[6-(4-Methoxyphenyl)-1,3,5-triazin-2,4-diyl]bis(5-{[(2R)-2-ethylhexyl]oxy}phenol) [German] [ACD/IUPAC Name]
2,2'-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis(5-{[(2R)-2-ethylhexyl]oxy}phenol) [ACD/IUPAC Name]
2,2'-[6-(4-Méthoxyphényl)-1,3,5-triazine-2,4-diyl]bis(5-{[(2R)-2-éthylhexyl]oxy}phénol) [French] [ACD/IUPAC Name]
Phenol, 2,2'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[[(2R)-2-ethylhexyl]oxy]- [ACD/Index Name]
187393-00-6 [RN]
Bemotrizinol [INN] [USAN] [Wiki]
UNII-PWZ1720CBH

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

Density: 1.1±0.1 g/cm3
Boiling Point: 782.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 426.7±35.7 °C
Index of Refraction: 1.560
Molar Refractivity: 182.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 13.89
ACD/LogD (pH 5.5): 11.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1805014.50
Polar Surface Area: 107 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 565.7±3.0 cm3

Click to predict properties on the Chemicalize site


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