| Phytochemical Name : (E)-1,4-bis(4-methylphenyl)-2-butene-1,4-dione |
| PCNDIDOT0204 |
| Pubchem CID : 883995 |
| Molecular formula: C18H16O2 |
| Canonical SMILES : CC1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=C(C=C2)C |
Synonymes : 17342-09-5|(E)-1,4-bis(4-methylphenyl)-2-butene-1,4-dione|(E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione|(2E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione|MLS001005669|SMR000348978|1,4-bis(4-methylphenyl)-2-butene-1,4-dione|NSC29008|cid_883995|CHEMBL1334520|BDBM57953|HMS1365A11|HMS2706N24|MFCD01316715|NSC-29008|(E)-1,2-Bis(4-methylbenzoyl)ethene|AKOS001027091|1,4-Di-p-tolyl-but-2-ene-1,4-dione|1,4-Di(p-tolyl)-trans-2-buten-1,4-dione|(E)-1,4-bis(p-tolyl)but-2-ene-1,4-dione|6N-770|Z56756391|(2E)-1,4-Bis(4-methylphenyl)-2-butene-1,4-dione #|5465-41-8 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.940 |
| Log Po/w (XLOGP3) : 3.890 |
| Log Po/w (WLOGP) : 3.930 |
| Log Po/w (MLOGP) : 3.170 |
| Log Po/w (SILICOS-IT) : 4.870 |
| Consensus Log Po/w : 3.760 |