≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=CC=CC(=C1)C(=O)CCC2=C(C=CC(=C2)C)C |
|---|---|
| IUPAC Name | ethyl 3-[3-(2,5-dimethylphenyl)propanoyl]benzoate |
| InChIKey | RDYSLCVJMZHUAS-UHFFFAOYSA-N |
| INCHI | 1S/C20H22O3/c1-4-23-20(22)18-7-5-6-17(13-18)19(21)11-10-16-12-14(2)8-9-15(16)3/h5-9,12-13H,4,10-11H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C1=CC=CC(=C1)C(=O)CCC2=C(C=CC(=C2)C)C |
| PubChem CID | 24726334 |
| Molecular Weight | 310.393 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Chalcones and dihydrochalcones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Retro-dihydrochalcones |
| Alternative Parents | Alkyl-phenylketones Butyrophenones Benzoic acid esters p-Xylenes Benzoyl derivatives Aryl alkyl ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Benzoate ester - Phenylketone - Benzoic acid or derivatives - P-xylene - Xylene - Benzoyl - Aryl ketone - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. |
| External Descriptors | Not available |
| Molecular Weight | 310.400 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 310.157 Da |
| Monoisotopic Mass | 310.157 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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 |
