| Phytochemical Name : Demethylbatatasin IV |
| PCNDIDD0063 |
| Pubchem CID : 442699 |
| Molecular formula: C14H14O3 |
| Canonical SMILES : C1=CC=C(C(=C1)CCC2=CC(=CC(=C2)O)O)O |
Synonymes : Demethylbatatasin IV|2',3,5-trihydroxybibenzyl|113276-63-4|CHEBI:4395|5-[2-(2-hydroxyphenyl)ethyl]benzene-1,3-diol|CHEMBL474628|SCHEMBL4740188|BDBM64584|DTXSID70331914|2'',3,5-Trihydroxybibenzyl (2)|LMPK13090033|5-[2-(2-Hydroxyphenyl)ethyl]-1,3-benzenediol|Q27106370 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.470 |
| Log Po/w (XLOGP3) : 3.030 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 2.490 |
| Log Po/w (SILICOS-IT) : 2.650 |
| Consensus Log Po/w : 2.710 |