I3E
Summary
| Name: | 1-(4-ethylphenyl)propan-1-one |
| Synonyms: | 1-(4-ethylphenyl)prop-2-en-1-one, bound form |
| Formula: | C11 H14 O |
| Formal charge: | 0 |
| Formula weight: | 162.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-ethylphenyl)propan-1-one |
| OpenEye OEToolkits | 1.7.2 | 1-(4-ethylphenyl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(cc1)CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | VGQRIILEZYZAOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)c1ccc(CC)cc1 |
| SMILES | CACTVS | 3.370 | CCC(=O)c1ccc(CC)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCc1ccc(cc1)C(=O)CC |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCc1ccc(cc1)C(=O)CC |
