S07

2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone

Created:2020-03-03
Last modified:  2020-07-01

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count6
2D diagram of S07

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Chemical Component Summary

Name2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
Systematic Name (OpenEye OEToolkits)2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
FormulaC14 H19 N O3
Molecular Weight249.306
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
SMILESOpenEye OEToolkits2.0.6Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2
Canonical SMILESCACTVS3.385 Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2
InChIInChI1.03 InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyInChI1.03 SPKPARPPRVMDOW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 876380
ChEMBL CHEMBL394091