ChemSpider 2D Image | 2-[(5S)-5-Hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-1,4-benzenediol | C15H15NO3

2-[(5S)-5-Hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-1,4-benzenediol

  • Molecular FormulaC15H15NO3
  • Average mass257.284 Da
  • Monoisotopic mass257.105194 Da
  • ChemSpider ID78440683

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Benzenediol, 2-[(5S)-6,7-dihydro-5-hydroxy-4-methyl-5H-cyclopenta[c]pyridin-1-yl]- [ACD/Index Name]
2-[(5S)-5-Hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-1,4-benzenediol [ACD/IUPAC Name]
2-[(5S)-5-Hydroxy-4-méthyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-1,4-benzènediol [French] [ACD/IUPAC Name]
2-[(5S)-5-Hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-1,4-benzoldiol [German] [ACD/IUPAC Name]
(-)-ganoapplanatumine A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 61.17
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 77.46
Polar Surface Area: 74 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 187.2±3.0 cm3

Click to predict properties on the Chemicalize site


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