| Sonrisas canónicas | CC1=CC(OC1=O)OC2=CC=C(C=C2)Br |
|---|---|
| IUPAC Name | 2-(4-bromophenoxy)-4-methyl-2H-furan-5-one |
| InChIKey | YOVHEWGBSZLWSV-UHFFFAOYSA-N |
| INCHI | 1S/C11H9BrO3/c1-7-6-10(15-11(7)13)14-9-4-2-8(12)3-5-9/h2-6,10H,1H3 |
| Isómeros SMILES | CC1=CC(OC1=O)OC2=CC=C(C=C2)Br |
| PubChem CID | 76285434 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Bromobenzenes Butenolides Aryl bromides Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organobromide - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 269.090 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 267.974 Da |
| Monoisotopic Mass | 267.974 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
