| Phytochemical Name : Butylphthalide |
| PCNDIDB0159 |
| Pubchem CID : 61361 |
| Molecular formula: C12H14O2 |
| Canonical SMILES : CCCCC1C2=CC=CC=C2C(=O)O1 |
Synonymes : Butylphthalide|6066-49-5|3-n-Butylphthalide|3-BUTYLPHTHALIDE|3-butylisobenzofuran-1(3H)-one|Phthalide, 3-butyl-|3-Butyl-1(3H)-isobenzofuranone|N-butylphthalide|1(3H)-Isobenzofuranone, 3-butyl-|3-N-BUTYLPHATHLIDE|FEMA No. 3334|Butylphthalide [INN]|dl-3-n-butylphthalide|CCRIS 7107|EINECS 228-000-8|UNII-822Q956KGM|3-butyl-3H-2-benzofuran-1-one|822Q956KGM|DL-NBP|(+/-)-3-BUTYLPHTHALIDE|3-Butyl-2-benzofuran-1(3H)-one|C12H14O2|3-n-Butylphthalide;3-Butylphthalide|MFCD01704513|(S)-3-Butyl-1(3H)-isobenzofuranone|3-butyl-1,3-dihydro-2-benzofuran-1-one|butilftalida|butylphthalidum|3-butyl-3H-isobenzofuran-1-one|3-butyl phthalide|3 - butylphthalide|(+/-)-butylphthalide|Rac-3-n-butylphthalide|dibutyl2,2-thiobisacetate|SCHEMBL716879|CHEMBL248594|BUTYLPHTHALIDE [WHO-DD]|3-butyl-3H-2-benzouran-1-one|DTXSID50863687|CHEBI:177504|HMS3886B22|3-N-BUTYLPHTHALIDE [FHFI]|BCP30933|HY-B0647|s9263|AKOS005362658|CCG-266504|CS-3609|DB12749|LS-2606|3-N-Butylphthalide, >=98% (HPLC)|AC-35096|AS-56990|SY231947|3-Butylphthalide pound>>3-n-Butylphthalide|FT-0698673|C17854|A868915|Q5003180|93133-67-6 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.530 |
| Log Po/w (XLOGP3) : 2.800 |
| Log Po/w (WLOGP) : 2.760 |
| Log Po/w (MLOGP) : 2.730 |
| Log Po/w (SILICOS-IT) : 3.230 |
| Consensus Log Po/w : 2.810 |