10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
inhibitors of arylamine Nacetyltransferase
| ALogP | 3.101 |
|---|---|
| hba_count | 3 |
| HBD Count | 1 |
| Rotatable Bond | 5 |
| Canonical Smiles | COC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | 1-(4-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione |
| InChIKey | ABKONMXONQQXKA-UHFFFAOYSA-N |
| INCHI | 1S/C16H13FO4/c1-21-12-6-7-14(18)13(8-12)16(20)9-15(19)10-2-4-11(17)5-3-10/h2-8,18H,9H2,1H3 |
| Isomeric SMILES | COC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)F |
| Molecular Weight | 288.2704232 |
| Reaxy-Rn | 22618520 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22618520&ln= |
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 | Retro-dihydrochalcones |
| Alternative Parents | 2'-Hydroxy-dihydrochalcones Cinnamylphenols Alkyl-phenylketones Butyrophenones Methoxyphenols 4-alkoxyphenols Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Phenoxy compounds Fluorobenzenes Beta-diketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous acids Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2'-hydroxy-dihydrochalcone - Retro-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Butyrophenone - Methoxyphenol - 4-alkoxyphenol - Phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - 1,3-diketone - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Vinylogous acid - Ketone - Ether - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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 |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 288.270 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 288.08 Da |
| Monoisotopic Mass | 288.08 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 376.000 |
| 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 |
