ChemSpider 2D Image | LICOCHALCONE D | C21H22O5

LICOCHALCONE D

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID84393645

More details:

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

(2E)-3-(3,4-Dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxy-2-méthoxyphényl)-1-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
144506-15-0 [RN]
2-Propen-1-one, 3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-, (2E)- [ACD/Index Name]
LICOCHALCONE D
2-Propen-1-one, 3-(3,4-dihydroxy-2-Methoxyphenyl)-1-[4-hydroxy-3-(3-Methyl-2-butenyl)p henyl]-, (E)-
3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 208.8±23.6 °C
Index of Refraction: 1.641
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 450.92
ACD/KOC (pH 5.5): 2761.88
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 397.97
ACD/KOC (pH 7.4): 2437.54
Polar Surface Area: 87 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 284.9±3.0 cm3

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