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Basic Description
| Synonyms | TMPQ | SCHEMBL197028 | 2,5-Cyclohexadien-1-one, 4-(3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)-2,6-dimethoxy- | DTXSID00197762 | FT-0632225 | 752TWO2IP0 | Coerulignone | CHEBI:55496 | 3,3',5,5'-Tetramethoxydiphenoquinone | Q27124326 | (BI-2,5-CYCLOHE |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Cyclic ketones
- Level7 Quinomethanes
- Level8 P-quinomethanes
- Level7 Quinomethanes
- Level6 Cyclic ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Cyclic ketones - Quinomethanes |
| Direct Parent | P-quinomethanes |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | P-quinomethane - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively. |
| External Descriptors | cyclic ketone |
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Names and Identifiers
| Pubchem Sid | 504757066 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757066 |
| IUPAC Name | 4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one |
| INCHI | InChI=1S/C16H16O6/c1-19-11-5-9(6-12(20-2)15(11)17)10-7-13(21-3)16(18)14(8-10)22-4/h5-8H,1-4H3 |
| InChIKey | WASNBVDBYSQBPH-UHFFFAOYSA-N |
| Smiles | COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC |
| Isomeric SMILES | COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC |
| Molecular Weight | 304.29 |
| Reaxy-Rn | 1890068 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1890068&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2426581 |
Certificate of Analysis | Jan 10, 2024 | C346593 |
Chemical and Physical Properties
| Molecular Weight | 304.290 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 304.095 Da |
| Monoisotopic Mass | 304.095 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| 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 |
Alternative Products
-
3,3′,5,5′-TetramethylbenzidineStarting at $36.90
-
3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone
Starting at $52.90
Solution Calculators
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