| Sonrisas canónicas | CC1=CC(=CC=C1)C(=O)CC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-(3-methylphenyl)-2-phenylethanone |
| InChIKey | IEXAVVUKKOOPME-UHFFFAOYSA-N |
| INCHI | 1S/C15H14O/c1-12-6-5-9-14(10-12)15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| Isómeros SMILES | CC1=CC(=CC=C1)C(=O)CC2=CC=CC=C2 |
| PubChem CID | 10954817 |
| Peso molecular | 210.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Toluenes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Peso molecular | 210.270 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 210.104 Da |
| Monoisotopic Mass | 210.104 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
