ChemSpider 2D Image | iso-Gemichalcone C | C30H28O9

iso-Gemichalcone C

  • Molecular FormulaC30H28O9
  • Average mass532.538 Da
  • Monoisotopic mass532.173340 Da
  • ChemSpider ID8318785

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (2E)-4-{3-[(2E)-3-(2,4-dihydroxyphényl)-2-propenoyl]-2,6-dihydroxyphényl}-2-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
(2E)-4-{3-[(2E)-3-(2,4-Dihydroxyphenyl)-2-propenoyl]-2,6-dihydroxyphenyl}-2-methyl-2-buten-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(2E)-4-{3-[(2E)-3-(2,4-Dihydroxyphenyl)-2-propenoyl]-2,6-dihydroxyphenyl}-2-methyl-2-buten-1-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)-4-[3-[(2E)-3-(2,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-2,6-dihydroxyphenyl]-2-methyl-2-buten-1-yl ester, (2E)- [ACD/Index Name]
iso-Gemichalcone C
(2E)-4-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-2-methylbut-2-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3'-(4-Feruloyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone
CHEMBL463638
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463638/
isogemichalcone C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 811.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 267.6±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2140.57
ACD/KOC (pH 5.5): 8377.89
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 801.95
ACD/KOC (pH 7.4): 3138.73
Polar Surface Area: 154 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 387.1±3.0 cm3

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