≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
20℃で保存する。 Ships アイスチェスト＋アイスパッド 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.
20℃で保存する。乾燥条件下で保存する。製品は12ヶ月間保存可能。
| カノニカル・スマイル | CCCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O |
|---|---|
| IUPAC Name | 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one |
| InChIKey | VUDQSRFCCHQIIU-UHFFFAOYSA-N |
| INCHI | 1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3 |
| 異性体SMILES | CCCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O |
| 分子量 | 307.2 |
| Reaxy-Rn | 9789620 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9789620&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 | Organic oxygen compounds |
| 分類 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Methoxyphenols Anisoles Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Resorcinols Phenoxy compounds P-chlorophenols O-chlorophenols Alkyl aryl ethers Aryl chlorides Vinylogous acids Organic oxides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Anisole - Benzoyl - Phenoxy compound - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Phenol ether - Resorcinol - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Phenol - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous acid - Ether - Organic oxide - Organohalogen compound - Organochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | resorcinols - aromatic ketone - monomethoxybenzene - differentiation-inducing factor |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 溶解度 | Soluble in DMSO to 50 mM |
|---|---|
| 分子量 | 307.170 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 306.043 Da |
| Monoisotopic Mass | 306.043 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| 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 |
