analytical standard, ≥95% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4C(=O)C5=CC=C(C=C5)OCCN6CCCCC6)O)C7=CC=C(C=C7)O |
|---|---|
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-7-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone |
| InChIKey | ZIQUILNLPRCFRB-UHFFFAOYSA-N |
| INCHI | 1S/C42H44N2O6S/c45-32-13-7-31(8-14-32)41-37(39(47)29-9-15-33(16-10-29)49-27-25-43-21-3-1-4-22-43)35-19-20-36(46)38(42(35)51-41)40(48)30-11-17-34(18-12-30)50-28-26-44-23-5-2-6-24-44/h7-20,45-46H,1-6,21-28H2 |
| Isomeric SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4C(=O)C5=CC=C(C=C5)OCCN6CCCCC6)O)C7=CC=C(C=C7)O |
| PubChem CID | 18410283 |
| Molecular Weight | 704.87 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones 3-aroylthiophenes 1-benzothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Piperidines Heteroaromatic compounds Vinylogous acids Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzophenone - Aryl-phenylketone - 3-aroylthiophene - 1-benzothiophene - Benzothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Phenol ether - Phenoxy compound - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Piperidine - Heteroaromatic compound - Thiophene - Vinylogous acid - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 704.900 g/mol |
|---|---|
| XLogP3 | 8.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 704.292 Da |
| Monoisotopic Mass | 704.292 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1090.000 |
| 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 |
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