ChemSpider 2D Image | 4-[(2S)-4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]-1,2-benzenediol | C18H22O4

4-[(2S)-4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]-1,2-benzenediol

  • Molecular FormulaC18H22O4
  • Average mass302.365 Da
  • Monoisotopic mass302.151794 Da
  • ChemSpider ID68703221

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(2S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]- [ACD/Index Name]
4-[(2S)-4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2S)-4-(3,4-Dihydroxyphényl)-2,3-diméthylbutyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2S)-4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 247.8±23.3 °C
Index of Refraction: 1.627
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.43
ACD/KOC (pH 5.5): 2335.03
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 352.35
ACD/KOC (pH 7.4): 2308.28
Polar Surface Area: 81 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

Click to predict properties on the Chemicalize site


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