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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C[C@@H]1CC2=CC(=C(C=C2[C@@H]([C@H]1C)C3=CC(=C(C=C3)OC)OC)OC)OC |
|---|---|
| IUPAC Name | (1S,2S,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene |
| InChIKey | WYBOVISLCPAJFV-QLEMLULZSA-N |
| INCHI | 1S/C22H28O4/c1-13-9-16-11-20(25-5)21(26-6)12-17(16)22(14(13)2)15-7-8-18(23-3)19(10-15)24-4/h7-8,10-14,22H,9H2,1-6H3/t13-,14+,22+/m1/s1 |
| Molecular Weight | 356.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Class | Aryltetralin lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryltetralin lignans |
| Alternative Parents | Tetralins Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 1-aryltetralin lignan - Tetralin - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 356.500 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 356.199 Da |
| Monoisotopic Mass | 356.199 Da |
| Topological Polar Surface Area | 36.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |