| Phytochemical Name : 1,1,4,4-Tetraphenyl-2-butyne-1,4-diol |
| PCNDIDOT0315 |
| Pubchem CID : 380898 |
| Molecular formula: C28H22O2 |
| Canonical SMILES : C1=CC=C(C=C1)C(C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O |
Synonymes : 1483-74-5|1,1,4,4-Tetraphenyl-2-butyne-1,4-diol|1,1,4,4-tetraphenylbut-2-yne-1,4-diol|1,1,4,4-Tetraphenyl-2-butyn-1,4-diol|NSC666680|2-Butyne-1,4-diol, 1,1,4,4-tetraphenyl-|R6I6TL4IUF|MFCD00046566|NSC-666680|1,1,4,4-Tetraphenyl butynediol-1,4|ANILINED5|UNII-R6I6TL4IUF|Oprea1_097031|SCHEMBL1758086|CHEMBL4543462|DTXSID7074537|Tetraphenyl-2-butyne-1,4-diol|AC9415|GEO-02745|STK781901|AKOS001483640|AS-80331|SY262489|2-BUTYNE-1,4-DIOL, TETRAPHENYL-|1,1,4,4-Tetraphenylbut-2-ine-1,4-diol|CS-0316466|FT-0606019|But-2-yne-1,4-diol, 1,1,4,4-tetraphenyl-|(E)-1,1,4,4-Tetraphenylbut-2-yne-1,4-diol|SR-01000390410|.ALPHA.,.ALPHA.'-ETHYNYLENEBIS(BENZHYDROL)|J-660013|SR-01000390410-1|W-200123|1,1,4,4-TETRAPHENYL-1,4-DIHYDROXY-2-BUTYNE|BRD-K92632754-001-01-0 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.680 |
| Log Po/w (XLOGP3) : 5.280 |
| Log Po/w (WLOGP) : 4.720 |
| Log Po/w (MLOGP) : 5.020 |
| Log Po/w (SILICOS-IT) : 5.730 |
| Consensus Log Po/w : 4.890 |