≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|---|---|
| IUPAC Name | (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one |
| InChIKey | WGVFVBIJKULVHA-QHHAFSJGSA-N |
| INCHI | 1S/C16H14O5/c1-21-16-7-3-10(8-15(16)20)2-6-13(18)12-5-4-11(17)9-14(12)19/h2-9,17,19-20H,1H3/b6-2+ |
| Isomeric SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O |
| Alternate CAS | 13323-67-6 |
| PubChem CID | 5372365 |
| MeSH Entry Terms | 4-O-methylbutein |
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 | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Chalcones and dihydrochalcones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2'-Hydroxychalcones |
| Alternative Parents | Cinnamylphenols Hydroxycinnamic acids and derivatives Methoxyphenols Styrenes Resorcinols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Enones Acryloyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2'-hydroxychalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Phenol ether - Resorcinol - Styrene - Aryl ketone - Benzoyl - Anisole - Methoxybenzene - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous acid - Enone - Alpha,beta-unsaturated ketone - Ketone - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. |
| External Descriptors | Chalcones and dihydrochalcones |
| Molecular Weight | 286.280 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 286.084 Da |
| Monoisotopic Mass | 286.084 Da |
| Topological Polar Surface Area | 87.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
