ChemSpider 2D Image | 4-[(2S)-6-Hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzenediol | C16H16O5

4-[(2S)-6-Hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzenediol

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID30824223

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(2S)-3,4-dihydro-6-hydroxy-7-methoxy-2H-1-benzopyran-2-yl]- [ACD/Index Name]
4-[(2S)-6-Hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2S)-6-Hydroxy-7-méthoxy-3,4-dihydro-2H-chromén-2-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2S)-6-Hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 276.5±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 32.04
ACD/KOC (pH 5.5): 416.23
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.60
ACD/KOC (pH 7.4): 410.63
Polar Surface Area: 79 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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