for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCOC1=C(C=C(C=C1I)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC |
|---|---|
| IUPAC Name | 9-(4-ethoxy-3-iodo-5-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione |
| InChIKey | CAOQKJZWMDCJGK-UHFFFAOYSA-N |
| INCHI | 1S/C26H31IO5/c1-7-31-24-15(27)8-14(9-18(24)30-6)21-22-16(28)10-25(2,3)12-19(22)32-20-13-26(4,5)11-17(29)23(20)21/h8-9,21H,7,10-13H2,1-6H3 |
| Molecular Weight | 550.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Iodobenzenes Cyclohexenones Alkyl aryl ethers Pyrans Aryl iodides Vinylogous esters Oxacyclic compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Cyclohexenone - Iodobenzene - Halobenzene - Aryl halide - Pyran - Aryl iodide - Monocyclic benzene moiety - Vinylogous ester - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 550.400 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 550.122 Da |
| Monoisotopic Mass | 550.122 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 815.000 |
| 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 |
