ChemSpider 2D Image | (2S,3E)-4-{4-[2-(Dimethylamino)ethoxy]phenyl}-3,4-diphenyl-3-buten-2-ol | C26H29NO2

(2S,3E)-4-{4-[2-(Dimethylamino)ethoxy]phenyl}-3,4-diphenyl-3-buten-2-ol

  • Molecular FormulaC26H29NO2
  • Average mass387.514 Da
  • Monoisotopic mass387.219818 Da
  • ChemSpider ID21245226

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S,3E)-4-{4-[2-(Dimethylamino)ethoxy]phenyl}-3,4-diphenyl-3-buten-2-ol [ACD/IUPAC Name]
(2S,3E)-4-{4-[2-(Dimethylamino)ethoxy]phenyl}-3,4-diphenyl-3-buten-2-ol [German] [ACD/IUPAC Name]
(2S,3E)-4-{4-[2-(Diméthylamino)éthoxy]phényl}-3,4-diphényl-3-butén-2-ol [French] [ACD/IUPAC Name]
Benzeneethanol, β-[[4-[2-(dimethylamino)ethoxy]phenyl]phenylmethylene]-α-methyl-, (αS,βE)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 120.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 20.18
ACD/KOC (pH 5.5): 46.85
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 711.29
ACD/KOC (pH 7.4): 1651.20
Polar Surface Area: 33 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

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