| Canonical Smiles | CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)NN)C |
|---|---|
| IUPAC Name | 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbohydrazide |
| InChIKey | DZAXKEKCWHVSEQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H16N2O3/c1-9-5-10(2)7-12(6-9)18-8-11-3-4-13(19-11)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17) |
| Isomeric SMILES | CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)NN)C |
| Alternate CAS | 438221-61-5 |
| PubChem CID | 726923 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | m-Xylenes Phenoxy compounds Furoic acid and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furoic acid or derivatives - Phenoxy compound - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 260.290 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 260.116 Da |
| Monoisotopic Mass | 260.116 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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-[(3,5-Dimethylphenoxy)methyl]-2-furohydrazide , CAS No.438221-61-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)