1-(4-Ethylphenyl)propan-1-one
PubChem CID: 583750
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| Compound Synonyms | 4'-Ethylpropiophenone, 1-(4-ethylphenyl)propan-1-one, 27465-51-6, Ethyl 4-Ethylphenyl Ketone, 1-(4-Ethylphenyl)-1-propanone, VGQRIILEZYZAOE-UHFFFAOYSA-, DTXSID40342678, MFCD00191646, p-Ethylpropiophenone, 4-Ethylpropiophenone, 1-Propanone, 1-(4-ethylphenyl)-, 4-Athylpropiophenon, p-Aethylpropiophenon, 3sz9, SCHEMBL1687863, DTXCID00293758, 1-(4-Ethylphenyl)-1-propanone #, ALBB-002889, STK500495, AKOS000163012, CS-W010854, FE23065, AC-10732, DS-17932, SY040616, E0461, EN300-40806, 4 inverted exclamation mark -Ethylpropiophenone, A819077, Q27461321, Z285137084, 1-(4-Ethylphenyl)-1-propanone, 1-(4-Ethylphenyl)propanone, 4'-Ethylpropiophenone, 855-221-2 |
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| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | P-ethylpropiophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. P-ethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylpropiophenone can be found in tea, which makes P-ethylpropiophenone a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-ethylphenyl)propan-1-one |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 3.0 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbonyl compounds |
| Molecular Formula | C11H14O |
| Inchi Key | VGQRIILEZYZAOE-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Compound Name | 1-(4-Ethylphenyl)propan-1-one |
| Kingdom | Organic compounds |
| Exact Mass | 162.104 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 162.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 162.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3 |
| Smiles | CCC1=CC=C(C=C1)C(=O)CC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alkyl-phenylketones |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all