ChemSpider 2D Image | (2Z)-1-(2,4-Dihydroxyphenyl)-3-{6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4,5-dihydroxy-2,4-cyclohexadien-1-yl}-2-propen-1-one | C25H30O5

(2Z)-1-(2,4-Dihydroxyphenyl)-3-{6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4,5-dihydroxy-2,4-cyclohexadien-1-yl}-2-propen-1-one

  • Molecular FormulaC25H30O5
  • Average mass410.503 Da
  • Monoisotopic mass410.209320 Da
  • ChemSpider ID26949347
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-1-(2,4-Dihydroxyphenyl)-3-{6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4,5-dihydroxy-2,4-cyclohexadien-1-yl}-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-1-(2,4-Dihydroxyphenyl)-3-{6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4,5-dihydroxy-2,4-cyclohexadien-1-yl}-2-propen-1-one [ACD/IUPAC Name]
(2Z)-1-(2,4-Dihydroxyphényl)-3-{6-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-4,5-dihydroxy-2,4-cyclohexadién-1-yl}-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4,5-dihydroxy-2,4-cyclohexadien-1-yl]-, (2Z)- [ACD/Index Name]
2-geranyl-2',4',3,4-tetrahydroxydihydrochalcone
2-geranyl-2′,4′,3,4-tetrahydroxydihydrochalcone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 336.2±28.0 °C
Index of Refraction: 1.648
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9512.83
ACD/KOC (pH 5.5): 24393.40
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4131.61
ACD/KOC (pH 7.4): 10594.54
Polar Surface Area: 98 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 331.6±3.0 cm3

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