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ChemSpider 2D Image | 3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-2-(3-methyl-2-buten-1-yl)phenolate | C21H21O5

3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-2-(3-methyl-2-buten-1-yl)phenolate

  • Molecular FormulaC21H21O5
  • Average mass353.389 Da
  • Monoisotopic mass353.139435 Da
  • ChemSpider ID24785251
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, ion(1-), (2E)- [ACD/Index Name]
3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-2-(3-methyl-2-buten-1-yl)phenolat [German] [ACD/IUPAC Name]
3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-2-(3-methyl-2-buten-1-yl)phenolate [ACD/IUPAC Name]
3-Hydroxy-4-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-5-méthoxy-2-(3-méthyl-2-butén-1-yl)phénolate [French] [ACD/IUPAC Name]
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate
Xanthohumol [Wiki]
xanthohumol(1-)

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

Density:
Boiling Point: 576.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 203.4±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2445.24
ACD/KOC (pH 5.5): 9235.93
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1247.14
ACD/KOC (pH 7.4): 4710.56
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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