| Sonrisas canónicas | CC1=C(C=CC=C1Cl)OCC2=CC=C(O2)C=O |
|---|---|
| IUPAC Name | 5-[(3-chloro-2-methylphenoxy)methyl]furan-2-carbaldehyde |
| InChIKey | YJMPGBIROMCRQW-UHFFFAOYSA-N |
| INCHI | 1S/C13H11ClO3/c1-9-12(14)3-2-4-13(9)16-8-11-6-5-10(7-15)17-11/h2-7H,8H2,1H3 |
| Isómeros SMILES | CC1=C(C=CC=C1Cl)OCC2=CC=C(O2)C=O |
| PubChem CID | 7019249 |
| Peso molecular | 250.68 |
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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 Toluenes Chlorobenzenes Aryl-aldehydes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Aryl-aldehyde - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen 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 | 250.680 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 250.04 Da |
| Monoisotopic Mass | 250.04 Da |
| Topological Polar Surface Area | 39.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
![5-[(3-Chloro-2-methylphenoxy)methyl]furan-2-carbaldehyde , CAS No.832740-87-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)