ChemSpider 2D Image | (2E)-1-{4-[(3,4-Dimethoxybenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one | C29H32O9

(2E)-1-{4-[(3,4-Dimethoxybenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID23133279

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-{4-[(3,4-Dimethoxybenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{4-[(3,4-Dimethoxybenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{4-[(3,4-Diméthoxybenzyl)oxy]-3,5-diméthoxyphényl}-3-(3,4,5-triméthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-{4-[(3,4-dimethoxybenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
2-Propen-1-one, 1-[4-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-, (2E)- [ACD/Index Name]
(E)-1-[4-(3,4-Dimethoxy-benzyloxy)-3,5-dimethoxy-phenyl]-3-(3,4,5-trimethoxy-phenyl)-propenone
CHEMBL285544
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285544/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 284.3±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.29
ACD/KOC (pH 5.5): 3318.11
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 582.29
ACD/KOC (pH 7.4): 3318.11
Polar Surface Area: 91 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 442.5±3.0 cm3

Click to predict properties on the Chemicalize site


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