ChemSpider 2D Image | (E)-4,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone | C18H18O5

(E)-4,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone

  • Molecular FormulaC18H18O5
  • Average mass314.332 Da
  • Monoisotopic mass314.115417 Da
  • ChemSpider ID26363219
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-6-méthoxy-3,5-diméthylphényl)-3-(4-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(E)-4,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone
2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
(2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

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

  • Miscellaneous
    • Chemical Class:

      A member of the class of chalcones that is <stereo>trans</stereo>-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' an d 5'. Isolated from the buds of <ital>Cleistocalyx operculatus</ital>, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. ChEBI CHEBI:70655
      A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' an; d 5'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70655

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 554.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 203.0±23.6 °C
Index of Refraction: 1.659
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.15
ACD/KOC (pH 5.5): 2238.40
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 198.14
ACD/KOC (pH 7.4): 1315.50
Polar Surface Area: 87 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 241.7±3.0 cm3

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