| Phytochemical Name : 1(3H)-Isobenzofuranone, 3-butyl-4-hydroxy- |
| PCNDIDOT0310 |
| Pubchem CID : 11074544 |
| Molecular formula: C12H14O3 |
| Canonical SMILES : CCCCC1C2=C(C=CC=C2O)C(=O)O1 |
Synonymes : 74459-23-7|1(3H)-Isobenzofuranone, 3-butyl-4-hydroxy-|3-butyl-4-hydroxyphthalide|4-hydroxy-3-butylphthalide|SCHEMBL3986357|DTXSID10454277|3-butyl-4-hydroxy-1,3-dihydro-2-benzofuran-1-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.090 |
| Log Po/w (XLOGP3) : 2.440 |
| Log Po/w (WLOGP) : 2.470 |
| Log Po/w (MLOGP) : 2.120 |
| Log Po/w (SILICOS-IT) : 2.730 |
| Consensus Log Po/w : 2.370 |