ChemSpider 2D Image | (2E)-1-[2-Hydroxy-4,6-dimethoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one | C23H23F3O4

(2E)-1-[2-Hydroxy-4,6-dimethoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one

  • Molecular FormulaC23H23F3O4
  • Average mass420.422 Da
  • Monoisotopic mass420.154846 Da
  • ChemSpider ID127435516

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[2-Hydroxy-4,6-dimethoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-(trifluormethyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[2-Hydroxy-4,6-dimethoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[2-Hydroxy-4,6-diméthoxy-3-(3-méthyl-2-butén-1-yl)phényl]-3-[4-(trifluorométhyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2-hydroxy-4,6-dimethoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 289.1±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 110.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14295.93
ACD/KOC (pH 5.5): 32656.73
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 6477.53
ACD/KOC (pH 7.4): 14796.87
Polar Surface Area: 56 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 345.5±3.0 cm3

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