| Sonrisas canónicas | CCCCCC(CCC1=CC=CC=C1)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-phenyloctan-3-ylbenzene |
| InChIKey | VYDMDTJAGDKCFU-UHFFFAOYSA-N |
| INCHI | 1S/C20H26/c1-2-3-6-13-20(19-14-9-5-10-15-19)17-16-18-11-7-4-8-12-18/h4-5,7-12,14-15,20H,2-3,6,13,16-17H2,1H3 |
| Peso molecular | 266.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Clase | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lignans, neolignans and related compounds |
| Alternative Parents | Linear 1,3-diarylpropanoids Benzene and substituted derivatives Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Norlignan skeleton - Linear 1,3-diarylpropanoid - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. |
| External Descriptors | Not available |
| Peso molecular | 266.400 g/mol |
|---|---|
| XLogP3 | 7.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 8 |
| Exact Mass | 266.203 Da |
| Monoisotopic Mass | 266.203 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 220.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
