ChemSpider 2D Image | 3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-6-(3-methyl-2-buten-1-yl)phenolate | C21H21O5

3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-6-(3-methyl-2-buten-1-yl)phenolate

  • Molecular FormulaC21H21O5
  • Average mass353.389 Da
  • Monoisotopic mass353.139435 Da
  • ChemSpider ID76962370

  • 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-[2,6-dihydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, ion(1-), (2E)- [ACD/Index Name]
3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-6-(3-methyl-2-buten-1-yl)phenolat [German] [ACD/IUPAC Name]
3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxy-6-(3-methyl-2-buten-1-yl)phenolate [ACD/IUPAC Name]
3-Hydroxy-2-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-5-méthoxy-6-(3-méthyl-2-butén-1-yl)phénolate [French] [ACD/IUPAC Name]
3' prenyl-4' O-methylchalconaringenin(1-)
3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-6-(3-methylbut-2-en-1-yl)phenolate
Xanthogalenol
xanthogalenol(1-)

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

Density:
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 212.9±25.0 °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: 5.96
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5101.47
ACD/KOC (pH 5.5): 15563.94
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 1553.34
ACD/KOC (pH 7.4): 4739.04
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement