ChemSpider 2D Image | 4,4'-[(2R,3S)-1-Bromo-2,3-pentanediyl]diphenol | C17H19BrO2

4,4'-[(2R,3S)-1-Bromo-2,3-pentanediyl]diphenol

  • Molecular FormulaC17H19BrO2
  • Average mass335.236 Da
  • Monoisotopic mass334.056824 Da
  • ChemSpider ID23122463

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4,4'-[(2R,3S)-1-Brom-2,3-pentandiyl]diphenol [German] [ACD/IUPAC Name]
4,4'-[(2R,3S)-1-Bromo-2,3-pentanediyl]diphenol [ACD/IUPAC Name]
4,4'-[(2R,3S)-1-Bromo-2,3-pentanediyl]diphénol [French] [ACD/IUPAC Name]
4,4'-[(2R,3S)-1-bromopentane-2,3-diyl]diphenol
Phenol, 4,4'-[(1R,2S)-1-(bromomethyl)-2-ethyl-1,2-ethanediyl]bis- [ACD/Index Name]
4-[(1S,2R)-3-bromo-1-ethyl-2-(4-hydroxyphenyl)propyl]phenol
4-[1-ethyl-2-(4-hydroxyphenyl)-3-bromo-(1S,2R)-propyl]phenol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 419.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 207.7±25.9 °C
Index of Refraction: 1.620
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 963.78
ACD/KOC (pH 5.5): 4759.08
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 958.20
ACD/KOC (pH 7.4): 4731.50
Polar Surface Area: 40 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

Click to predict properties on the Chemicalize site


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