ChemSpider 2D Image | (1R,2R)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1,4-butanediol | C26H31NO3

(1R,2R)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1,4-butanediol

  • Molecular FormulaC26H31NO3
  • Average mass405.529 Da
  • Monoisotopic mass405.230408 Da
  • ChemSpider ID32800874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1,4-butandiol [German] [ACD/IUPAC Name]
(1R,2R)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1,4-butanediol [ACD/IUPAC Name]
(1R,2R)-1-{4-[2-(Diméthylamino)éthoxy]phényl}-1,2-diphényl-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenyl-, (1R,2R)- [ACD/Index Name]
(1R,2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylbutane-1,4-diol
1-(4-(2-(Dimethylamino)ethoxy)phenyl)-1,2-diphenylbutane-1,4-diol
141854-25-3 [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: 569.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.20
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 25.15
ACD/KOC (pH 7.4): 154.76
Polar Surface Area: 53 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 356.5±3.0 cm3

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