| Phytochemical Name : Austrobailignan 5 |
| PCNDIDA0241 |
| Pubchem CID : 185825 |
| Molecular formula: C20H22O4 |
| Canonical SMILES : CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC4=C(C=C3)OCO4 |
Synonymes : Austrobailignan 5|55890-23-8|CHEMBL400319|DTXSID30971294|5,5'-(2,3-Dimethylbutane-1,4-diyl)bis(2H-1,3-benzodioxole)|1,3-Benzodioxole, 5,5'-((2R,3R)-2,3-dimethyl-1,4-butanediyl)bis-|5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-1,3-benzodioxole |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.910 |
| Log Po/w (XLOGP3) : 5.350 |
| Log Po/w (WLOGP) : 4.200 |
| Log Po/w (MLOGP) : 3.620 |
| Log Po/w (SILICOS-IT) : 5.160 |
| Consensus Log Po/w : 4.450 |