ChemSpider 2D Image | 4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenyl(~2~H_5_)-1-buten-1-yl]phenol | C26H24D5NO2

4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenyl(2H5)-1-buten-1-yl]phenol

  • Molecular FormulaC26H24D5NO2
  • Average mass392.545 Da
  • Monoisotopic mass392.251221 Da
  • ChemSpider ID28551814

  • 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-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenyl(2H5)-1-buten-1-yl]phenol [German] [ACD/IUPAC Name]
4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenyl(2H5)-1-buten-1-yl]phenol [ACD/IUPAC Name]
4-[(1E)-1-{4-[2-(Diméthylamino)éthoxy]phényl}-2-phényl(2H5)-1-butén-1-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl-3,3,4,4,4-d5]- [ACD/Index Name]
(Z) 4-HYDROXY TAMOXIFEN ETHYL-D5
164365-20-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 514.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 264.9±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 67.24
ACD/KOC (pH 5.5): 110.48
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 2335.78
ACD/KOC (pH 7.4): 3838.15
Polar Surface Area: 33 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 354.7±3.0 cm3

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