ChemSpider 2D Image | (2R)-2,4-Bis(4-hydroxy-3-methoxyphenyl)-2-methyl-4-cyclopentene-1,3-dione | C20H18O6

(2R)-2,4-Bis(4-hydroxy-3-methoxyphenyl)-2-methyl-4-cyclopentene-1,3-dione

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID28663312

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,4-Bis(4-hydroxy-3-methoxyphenyl)-2-methyl-4-cyclopenten-1,3-dion [German] [ACD/IUPAC Name]
(2R)-2,4-Bis(4-hydroxy-3-methoxyphenyl)-2-methyl-4-cyclopentene-1,3-dione [ACD/IUPAC Name]
(2R)-2,4-Bis(4-hydroxy-3-méthoxyphényl)-2-méthyl-4-cyclopentène-1,3-dione [French] [ACD/IUPAC Name]
4-Cyclopentene-1,3-dione, 2,4-bis(4-hydroxy-3-methoxyphenyl)-2-methyl-, (2R)- [ACD/Index Name]
Preussidone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 571.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 205.5±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.09
ACD/KOC (pH 5.5): 254.26
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.85
ACD/KOC (pH 7.4): 250.47
Polar Surface Area: 93 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site


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