2-(p-Tolylmethyl)-p-xylene
PubChem CID: 607046
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| Compound Synonyms | 721-45-9, 1,4-Dimethyl-2-(4-methylbenzyl)benzene, 2-(p-Tolylmethyl)-p-xylene, p-Tolyl-2,5-xylylmethane, 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene, Benzene, 1,4-dimethyl-2-[(4-methylphenyl)methyl]-, 2,5,4'-trimethyldiphenylmethane, DTXSID60345787, IPBUXQXAOGGGBK-UHFFFAOYSA-N, HS-6558, 1,4-Dimethyl-2-(4-methylbenzyl)benzene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C16H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPBUXQXAOGGGBK-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.714 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.136 |
| Compound Name | 2-(p-Tolylmethyl)-p-xylene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 210.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.3532839999999995 |
| Inchi | InChI=1S/C16H18/c1-12-5-8-15(9-6-12)11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3 |
| Smiles | CC1=CC=C(C=C1)CC2=C(C=CC(=C2)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients