ChemSpider 2D Image | Ethyl (2E)-4-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-2-butenoate | C27H28O8

Ethyl (2E)-4-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-2-butenoate

  • Molecular FormulaC27H28O8
  • Average mass480.506 Da
  • Monoisotopic mass480.178406 Da
  • ChemSpider ID58978759

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-{[5,7-Dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yl]oxy}-2-buténoate d'éthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-[[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-1-benzopyran-3-yl]oxy]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-4-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-2-butenoate [ACD/IUPAC Name]
Ethyl-(2E)-4-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 226.1±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2935.75
ACD/KOC (pH 5.5): 10049.71
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 178.54
ACD/KOC (pH 7.4): 611.18
Polar Surface Area: 112 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 365.3±5.0 cm3

Click to predict properties on the Chemicalize site


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