ChemSpider 2D Image | 2-Bromo-4-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-6-methoxyphenol | C18H20BrNO3

2-Bromo-4-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-6-methoxyphenol

  • Molecular FormulaC18H20BrNO3
  • Average mass378.260 Da
  • Monoisotopic mass377.062653 Da
  • ChemSpider ID30657338

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Brom-4-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-6-methoxyphenol [German] [ACD/IUPAC Name]
2-Bromo-4-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-6-methoxyphenol [ACD/IUPAC Name]
2-Bromo-4-[(2S,4S,5S)-3,4-diméthyl-5-phényl-1,3-oxazolidin-2-yl]-6-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 2-bromo-4-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-oxazolidinyl]-6-methoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 444.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 222.6±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 160.61
ACD/KOC (pH 5.5): 983.07
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 376.18
ACD/KOC (pH 7.4): 2302.55
Polar Surface Area: 42 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement