Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)C4=CC=C(C=C4)O)OC |
|---|---|
| IUPAC Name | 4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenol |
| InChIKey | ATYXTVKHMLAWBZ-UHFFFAOYSA-N |
| INCHI | 1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3 |
| Isomeric SMILES | COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)C4=CC=C(C=C4)O)OC |
| PubChem CID | 25113688 |
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 | Isoquinolines and derivatives |
| Subclass | Benzylisoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylisoquinolines |
| Alternative Parents | Biphenyls and derivatives Tetrahydroisoquinolines Phenylmethylamines Benzylamines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzylisoquinoline - Biphenyl - Tetrahydroisoquinoline - Anisole - Benzylamine - Phenylmethylamine - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. |
| External Descriptors | Not available |
| Molecular Weight | 375.500 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 375.183 Da |
| Monoisotopic Mass | 375.183 Da |
| Topological Polar Surface Area | 41.900 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 470.000 |
| 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 |