I3E

1-(4-ethylphenyl)propan-1-one

Created:2011-07-26
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count26
Aromatic Bond Count6
2D diagram of I3E

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Chemical Component Summary

Name1-(4-ethylphenyl)propan-1-one
Synonyms1-(4-ethylphenyl)prop-2-en-1-one, bound form
Systematic Name (OpenEye OEToolkits)1-(4-ethylphenyl)propan-1-one
FormulaC11 H14 O
Molecular Weight162.228
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccc(cc1)CC)CC
SMILESCACTVS3.370CCC(=O)c1ccc(CC)cc1
SMILESOpenEye OEToolkits1.7.2CCc1ccc(cc1)C(=O)CC
Canonical SMILESCACTVS3.370 CCC(=O)c1ccc(CC)cc1
Canonical SMILESOpenEye OEToolkits1.7.2 CCc1ccc(cc1)C(=O)CC
InChIInChI1.03 InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyInChI1.03 VGQRIILEZYZAOE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 583750