ChemSpider 2D Image | (2E)-4-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-2-methyl-2-buten-1-yl (2E)-3-(4-hydroxyphenyl)acrylate | C29H26O7

(2E)-4-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-2-methyl-2-buten-1-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC29H26O7
  • Average mass486.513 Da
  • Monoisotopic mass486.167847 Da
  • ChemSpider ID24716808

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de (2E)-4-{2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényl}-2-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
(2E)-4-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-2-methyl-2-buten-1-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(2E)-4-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-2-methyl-2-buten-1-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-4-[2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]phenyl]-2-methyl-2-buten-1-yl ester, (2E)- [ACD/Index Name]
3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517334/
ISOGEMICHALCONE B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 250.3±26.4 °C
Index of Refraction: 1.693
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3748.26
ACD/KOC (pH 5.5): 12524.55
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1626.86
ACD/KOC (pH 7.4): 5436.05
Polar Surface Area: 124 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 364.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement