ChemSpider 2D Image | Idoxifene | C28H30INO

Idoxifene

  • Molecular FormulaC28H30INO
  • Average mass523.448 Da
  • Monoisotopic mass523.137207 Da
  • ChemSpider ID2298565
  • Double-bond stereo - Double-bond stereo


More details:






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

1-(2-(4-((1E)-1-(4-Iodophenyl)-2-phenylbut-1-enyl)phenoxy)ethyl)pyrrolidine
1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)pyrrolidine [ACD/IUPAC Name]
1-(2-{4-[(1E)-1-(4-Iodophényl)-2-phényl-1-butén-1-yl]phénoxy}éthyl)pyrrolidine [French] [ACD/IUPAC Name]
1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)pyrrolidine
1-(2-{4-[(1E)-1-(4-Iodphenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)pyrrolidin [German] [ACD/IUPAC Name]
116057-75-1 [RN]
Pyrrolidine, 1-[2-[4-[(1E)-1-(4-iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]- [ACD/Index Name]
(E)-1-(2-(4-(1-(4-Iodophenyl)-2-phenyl-1-butenyl)phenoxy)ethyl)pyrrolidine
(E)-1-(2-(4-(1-(4-Iodophenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)pyrrolidine
More...

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

CB 7432 [DBID]
CB-7432 [DBID]
SB 223030 [DBID]
SB-223030 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.6±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 617.31
ACD/KOC (pH 5.5): 467.05
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 4853.58
ACD/KOC (pH 7.4): 3672.19
Polar Surface Area: 12 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

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