ChemSpider 2D Image | (3S)-1-(2,4-Dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1-propanone | C15H14O5

(3S)-1-(2,4-Dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1-propanone

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID35801247

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(2,4-Dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
(3S)-1-(2,4-Dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1-propanone [ACD/IUPAC Name]
(3S)-1-(2,4-Dihydroxyphényl)-3-hydroxy-3-(4-hydroxyphényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-, (3S)- [ACD/Index Name]
1-PROPANONE, 1-(2,4-DIHYDROXYPHENYL)-3-HYDROXY-3-(4-HYDROXYPHENYL)-,(3S)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 313.9±26.6 °C
Index of Refraction: 1.682
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.38
ACD/KOC (pH 5.5): 331.20
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 12.40
ACD/KOC (pH 7.4): 175.61
Polar Surface Area: 98 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 191.7±3.0 cm3

Click to predict properties on the Chemicalize site


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