ChemSpider 2D Image | (3S,4S)-4-Hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentanone | C15H20O3

(3S,4S)-4-Hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentanone

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID28289578

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4S)-4-Hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentanon [German] [ACD/IUPAC Name]
(3S,4S)-4-Hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentanone [ACD/IUPAC Name]
(3S,4S)-4-Hydroxy-3-(3-hydroxy-4-méthylphényl)-2,2,3-triméthylcyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 4-hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethyl-, (3S,4S)- [ACD/Index Name]
flamvelutpenoid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 410.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 215.9±25.2 °C
Index of Refraction: 1.554
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.52
ACD/KOC (pH 5.5): 281.15
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.49
ACD/KOC (pH 7.4): 280.71
Polar Surface Area: 58 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 217.9±3.0 cm3

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