ChemSpider 2D Image | 4-[(3E)-4-(4-Hydroxyphenyl)(1,1,1,2,2-~2~H_5_)-3-hexen-3-yl](3-~2~H)phenol | C18H14D6O2

4-[(3E)-4-(4-Hydroxyphenyl)(1,1,1,2,2-2H5)-3-hexen-3-yl](3-2H)phenol

  • Molecular FormulaC18H14D6O2
  • Average mass274.387 Da
  • Monoisotopic mass274.183990 Da
  • ChemSpider ID67174505

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

4-[(3E)-4-(4-Hydroxyphenyl)(1,1,1,2,2-2H5)-3-hexen-3-yl](3-2H)phenol [German] [ACD/IUPAC Name]
4-[(3E)-4-(4-Hydroxyphenyl)(1,1,1,2,2-2H5)-3-hexen-3-yl](3-2H)phenol [ACD/IUPAC Name]
4-[(3E)-4-(4-Hydroxyphényl)(1,1,1,2,2-2H5)-3-hexén-3-yl](3-2H)phénol [French] [ACD/IUPAC Name]
Phenol-3-d, 4-[(1E)-1-(ethyl-d5)-2-(4-hydroxyphenyl)-1-buten-1-yl]- [ACD/Index Name]
diethylstilbestrol-d6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 407.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 186.9±17.8 °C
Index of Refraction: 1.603
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2576.58
ACD/KOC (pH 5.5): 9620.96
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2572.41
ACD/KOC (pH 7.4): 9605.39
Polar Surface Area: 40 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 242.2±3.0 cm3

Click to predict properties on the Chemicalize site


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