ChemSpider 2D Image | (2E)-1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methyl-3-buten-2-yl)phenyl]-2-propen-1-one | C21H22O5

(2E)-1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methyl-3-buten-2-yl)phenyl]-2-propen-1-one

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID26376041

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methyl-3-buten-2-yl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methyl-3-buten-2-yl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxyphényl)-3-[4-hydroxy-2-méthoxy-5-(2-méthyl-3-butén-2-yl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[5-(1,1-dimethyl-2-propen-1-yl)-4-hydroxy-2-methoxyphenyl]-, (2E)- [ACD/Index Name]
licochalcone G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 196.5±23.6 °C
Index of Refraction: 1.629
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1423.28
ACD/KOC (pH 5.5): 6257.41
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 559.83
ACD/KOC (pH 7.4): 2461.28
Polar Surface Area: 87 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 287.4±3.0 cm3

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