| Canonical Smiles | CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C |
|---|---|
| IUPAC Name | 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene |
| InChIKey | ZHTROMYSDSTCCE-UHFFFAOYSA-N |
| INCHI | 1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C |
| PubChem CID | 137818 |
| Molecular Weight | 210.32 |
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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | p-Xylenes Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - P-xylene - Xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Molecular Weight | 210.310 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.141 Da |
| Monoisotopic Mass | 210.141 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| 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 |
