ChemSpider 2D Image | 4-(3-Hydroxy-1-benzothiophen-2-yl)-7-methoxy-2H-chromen-2-one | C18H12O4S

4-(3-Hydroxy-1-benzothiophen-2-yl)-7-methoxy-2H-chromen-2-one

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID21692418

More details:

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

2H-1-Benzopyran-2-one, 4-(3-hydroxybenzo[b]thien-2-yl)-7-methoxy- [ACD/Index Name]
4-(3-Hydroxy-1-benzothiophen-2-yl)-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-(3-Hydroxy-1-benzothiophen-2-yl)-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
4-(3-Hydroxy-1-benzothiophén-2-yl)-7-méthoxy-2H-chromén-2-one [French] [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: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1511.55
ACD/KOC (pH 5.5): 6565.31
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1362.58
ACD/KOC (pH 7.4): 5918.31
Polar Surface Area: 84 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

Click to predict properties on the Chemicalize site


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