≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2)(C)C3=CC=C(C=C3)Cl)(C)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | (4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazole |
| InChIKey | OOVOROVEJRZNDO-ISILISOKSA-N |
| INCHI | 1S/C29H32Cl2N2O/c1-7-34-25-18-21(27(2,3)4)12-17-24(25)26-32-28(5,19-8-13-22(30)14-9-19)29(6,33-26)20-10-15-23(31)16-11-20/h8-18H,7H2,1-6H3,(H,32,33)/t28-,29+ |
| Isomeric SMILES | CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@]([C@](N2)(C)C3=CC=C(C=C3)Cl)(C)C4=CC=C(C=C4)Cl |
| PubChem CID | 58894234 |
| Molecular Weight | 495.5 |
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 | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Phenylpropanes Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Imidolactams Aryl chlorides Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - 2-imidazoline - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Molecular Weight | 495.500 g/mol |
|---|---|
| XLogP3 | 7.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 494.189 Da |
| Monoisotopic Mass | 494.189 Da |
| Topological Polar Surface Area | 33.600 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 720.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
