ChemSpider 2D Image | stereoisomer of 7-Chloro-4-hydroxy-2′,6-dimethoxy-6′-methylspiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione | C16H15ClO6

stereoisomer of 7-Chloro-4-hydroxy-2′,6-dimethoxy-6′-methylspiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione

  • Molecular FormulaC16H15ClO6
  • Average mass338.740 Da
  • Monoisotopic mass338.055725 Da
  • ChemSpider ID23338086
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

5128-41-6 [RN]
stereoisomer of 7-Chloro-4-hydroxy-2′,6-dimethoxy-6′-methylspiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione
(2S,5'R)-7-chloro-4-hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
(2S,6'R)-(7-Chloro-6-methoxy-4-hydroxy-benzofuran-3-on)-2-spiro-1'-(2'-methoxy-6'-methyl-cyclohex-2'-en-4'-one)
(2S,6'R)-7-chloro-4-hydroxy-2',6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione [ACD/IUPAC Name]
4-O-Demethyl Griseofulvin
spiro[benzofuran-2(3H),1'-cyclohex[2]ene]-3,4'-dione, 7-chloro-4-hydroxy-2',6-dimethoxy-6'-methyl-, (2S,6'R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 317.1±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 343.14
ACD/KOC (pH 5.5): 2194.96
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 34.50
ACD/KOC (pH 7.4): 220.66
Polar Surface Area: 82 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 230.2±5.0 cm3

Click to predict properties on the Chemicalize site






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