ChemSpider 2D Image | 7-Hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]-4-methyl-2H-chromen-2-one | C20H18O4

7-Hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]-4-methyl-2H-chromen-2-one

  • Molecular FormulaC20H18O4
  • Average mass322.354 Da
  • Monoisotopic mass322.120514 Da
  • ChemSpider ID35033759

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl- [ACD/Index Name]
7-Hydroxy-3-[(E)-2-(4-Hydroxy-3,5-Dimethylphenyl)ethenyl]-4-Methyl-2h-Chromen-2-One
7-Hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
7-Hydroxy-3-[(E)-2-(4-hydroxy-3,5-diméthylphényl)vinyl]-4-méthyl-2H-chromén-2-one [French] [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: 569.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 207.7±23.6 °C
Index of Refraction: 1.721
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1142.82
ACD/KOC (pH 5.5): 5371.48
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 908.08
ACD/KOC (pH 7.4): 4268.13
Polar Surface Area: 67 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 240.6±3.0 cm3

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