ChemSpider 2D Image | 4,4'-[(2R,3S)-1-Iodo-2,3-pentanediyl]diphenol | C17H19IO2

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

  • Molecular FormulaC17H19IO2
  • Average mass382.236 Da
  • Monoisotopic mass382.042969 Da
  • ChemSpider ID23122499

  • 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-Iod-2,3-pentandiyl]diphenol [German] [ACD/IUPAC Name]
4,4'-[(2R,3S)-1-Iodo-2,3-pentanediyl]diphenol [ACD/IUPAC Name]
4,4'-[(2R,3S)-1-Iodo-2,3-pentanediyl]diphénol [French] [ACD/IUPAC Name]
4,4'-[(2R,3S)-1-iodopentane-2,3-diyl]diphenol
Phenol, 4,4'-[(1S,2R)-1-ethyl-2-(iodomethyl)-1,2-ethanediyl]bis- [ACD/Index Name]
4-[(1S,2R)-1-ethyl-2-(4-hydroxyphenyl)-3-iodopropyl]phenol
4-[1-ethyl-2-(4-hydroxyphenyl)-3-iodo-(1S,2R)-propyl]phenol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 223.7±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1133.25
ACD/KOC (pH 5.5): 5344.13
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1127.00
ACD/KOC (pH 7.4): 5314.66
Polar Surface Area: 40 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

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