≥90% 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 | C1CNC(C2=CC=CC=C21)C3=C(CC(CC3=O)C4=CC=C(C=C4)F)O |
|---|---|
| IUPAC Name | 5-(4-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohex-2-en-1-one |
| InChIKey | QYOVIQBZEFMAPV-UHFFFAOYSA-N |
| INCHI | 1S/C21H20FNO2/c22-16-7-5-13(6-8-16)15-11-18(24)20(19(25)12-15)21-17-4-2-1-3-14(17)9-10-23-21/h1-8,15,21,23-24H,9-12H2 |
| Isomeric SMILES | C1CNC(C2=CC=CC=C21)C3=C(CC(CC3=O)C4=CC=C(C=C4)F)O |
| PubChem CID | 3825970 |
| Molecular Weight | 337.39 |
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 | Organoheterocyclic compounds |
| Class | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | Fluorobenzenes Cyclohexenones Aralkylamines Aryl fluorides Vinylogous acids Enols Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroisoquinoline - Cyclohexenone - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Cyclic ketone - Ketone - Secondary aliphatic amine - Enol - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Molecular Weight | 337.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 337.148 Da |
| Monoisotopic Mass | 337.148 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 538.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
