ChemSpider 2D Image | 2-(1-Benzothiophen-3-yl)-3-hydroxy-6-methoxy-4H-chromen-4-one | C18H12O4S

2-(1-Benzothiophen-3-yl)-3-hydroxy-6-methoxy-4H-chromen-4-one

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID128715230

More details:

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

2-(1-Benzothiophen-3-yl)-3-hydroxy-6-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(1-Benzothiophen-3-yl)-3-hydroxy-6-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(1-Benzothiophén-3-yl)-3-hydroxy-6-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-benzo[b]thien-3-yl-3-hydroxy-6-methoxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4464312/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 536.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.4±30.1 °C
Index of Refraction: 1.732
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 726.70
ACD/KOC (pH 5.5): 3887.58
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 691.67
ACD/KOC (pH 7.4): 3700.20
Polar Surface Area: 84 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 221.9±3.0 cm3

Click to predict properties on the Chemicalize site


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