ChemSpider 2D Image | (2E)-1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)-2-propen-1-one | C16H14O5

(2E)-1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC16H14O5
  • Average mass286.279 Da
  • Monoisotopic mass286.084137 Da
  • ChemSpider ID26949338

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E)-1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-3-méthoxyphényl)-3-(3-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)-, (2E)- [ACD/Index Name]
(E)-3,2',4'-trihydroxy-3'-methoxychalcone
1196896-74-8 [RN]
2',4',3-trihydroxy-3'-methoxychalcone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 215.4±23.6 °C
Index of Refraction: 1.684
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 112.61
ACD/KOC (pH 5.5): 1018.26
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 45.09
ACD/KOC (pH 7.4): 407.74
Polar Surface Area: 87 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 209.1±3.0 cm3

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