ChemSpider 2D Image | (2E)-3-[4-(Hexyloxy)phenyl]-1-(3-hydroxyphenyl)-2-propen-1-one | C21H24O3

(2E)-3-[4-(Hexyloxy)phenyl]-1-(3-hydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC21H24O3
  • Average mass324.414 Da
  • Monoisotopic mass324.172546 Da
  • ChemSpider ID24742029

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(Hexyloxy)phenyl]-1-(3-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[4-(Hexyloxy)phenyl]-1-(3-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[4-(Hexyloxy)phényl]-1-(3-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-(hexyloxy)phenyl]-1-(3-hydroxyphenyl)-, (2E)- [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: 514.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 179.7±23.6 °C
Index of Refraction: 1.585
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7936.62
ACD/KOC (pH 5.5): 21523.57
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7761.28
ACD/KOC (pH 7.4): 21048.04
Polar Surface Area: 47 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 294.8±3.0 cm3

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