ChemSpider 2D Image | 5-(Carboxyoxy)-4-methoxy-3-(2-methyl-2-propanyl)-2-(1-phenyl-2-propen-1-yl)phenolate | C21H23O5

5-(Carboxyoxy)-4-methoxy-3-(2-methyl-2-propanyl)-2-(1-phenyl-2-propen-1-yl)phenolate

  • Molecular FormulaC21H23O5
  • Average mass355.405 Da
  • Monoisotopic mass355.155090 Da
  • ChemSpider ID57543505

  • Charge - Charge

More details:

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

1,3-Benzenediol, 5-(1,1-dimethylethyl)-4-methoxy-6-(1-phenyl-2-propen-1-yl)-, 3-(hydrogen carbonate), ion(1-) [ACD/Index Name]
5-(Carboxyoxy)-4-methoxy-3-(2-methyl-2-propanyl)-2-(1-phenyl-2-propen-1-yl)phenolat [German] [ACD/IUPAC Name]
5-(Carboxyoxy)-4-methoxy-3-(2-methyl-2-propanyl)-2-(1-phenyl-2-propen-1-yl)phenolate [ACD/IUPAC Name]
5-(Carboxyoxy)-4-méthoxy-3-(2-méthyl-2-propanyl)-2-(1-phényl-2-propén-1-yl)phénolate [French] [ACD/IUPAC Name]
3-tert-Butyl-5-(carboxyoxy)-4-methoxy-2-(1-phenylprop-2-en-1-yl)phenolatato
643746-53-6 [RN]

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

Density:
Boiling Point: 533.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 185.3±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 23.66
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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