| Phytochemical Name : 2-Isopropyl-8-methylphenanthrene-3,4-dione |
| PCNDIDOT0620 |
| Pubchem CID : 135872 |
| Molecular formula: C18H16O2 |
| Canonical SMILES : CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C |
Synonymes : Ro 09-0680|87112-49-0|2-Isopropyl-8-methylphenanthrene-3,4-dione|3,4-Phenanthrenedione, 8-methyl-2-(1-methylethyl)-|8-methyl-2-propan-2-ylphenanthrene-3,4-dione|Ro-09-0680|DTXSID20236142|AKOS040749311|RO-090680 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.560 |
| Log Po/w (XLOGP3) : 4.240 |
| Log Po/w (WLOGP) : 3.840 |
| Log Po/w (MLOGP) : 2.810 |
| Log Po/w (SILICOS-IT) : 4.850 |
| Consensus Log Po/w : 3.660 |