ChemSpider 2D Image | 4-[(3R,4S)-4-(4-Hydroxy-3-iodophenyl)-3-hexanyl]-2-iodophenol | C18H20I2O2

4-[(3R,4S)-4-(4-Hydroxy-3-iodophenyl)-3-hexanyl]-2-iodophenol

  • Molecular FormulaC18H20I2O2
  • Average mass522.159 Da
  • Monoisotopic mass521.955261 Da
  • ChemSpider ID149887

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(3R,4S)-4-(4-Hydroxy-3-iodophenyl)-3-hexanyl]-2-iodophenol [ACD/IUPAC Name]
4-[(3R,4S)-4-(4-Hydroxy-3-iodophényl)-3-hexanyl]-2-iodophénol [French] [ACD/IUPAC Name]
4-[(3R,4S)-4-(4-Hydroxy-3-iodphenyl)-3-hexanyl]-2-iodphenol [German] [ACD/IUPAC Name]
Phenol, 4-[(1R,2S)-1-ethyl-2-(4-hydroxy-3-iodophenyl)butyl]-2-iodo- [ACD/Index Name]
1-Iodohexestrol
55508-15-1 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 434.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 216.3±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48427.12
ACD/KOC (pH 5.5): 78523.13
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 43568.21
ACD/KOC (pH 7.4): 70644.55
Polar Surface Area: 40 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


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