| Phytochemical Name : Phthalide |
| PCNDIDP0099 |
| Pubchem CID : 6885 |
| Molecular formula: C8H6O2 |
| Canonical SMILES : C1C2=CC=CC=C2C(=O)O1 |
Synonymes : PHTHALIDE|87-41-2|Isobenzofuran-1(3H)-one|2-Benzofuran-1(3H)-one|1-Phthalanone|1(3H)-Isobenzofuranone|Phthalolactone|3H-2-benzofuran-1-one|3H-isobenzofuran-1-one|Phthalanone|Isobenzofuranone|1-Isobenzofuranone|2-Hydroxymethylbenzoic acid, gamma-lactone|MFCD00005906|CCRIS 3598|CHEBI:38085|1,3-dihydro-2-benzofuran-1-one|NSC 1469|EINECS 201-744-0|BRN 0114632|UNII-8VV922U86J|AI3-05785|C8H6O2|2-Hydroxymethylbenzoic acid, .gamma.-lactone|CHEMBL2391738|DTXSID0052594|8VV922U86J|NSC-1469|Phthalide, 98%|EC 201-744-0|5-17-10-00007 (Beilstein Handbook Reference)|phthalid-|1(3H)-Isobenzofuranone-1-11C|isobenzofuran-1-one|591234-45-6|(3H)-isobenzofuranone|1(3H)-Isobenzofuranona|1H-Isobenzofuran-3-one|PHTHALIDE [FHFI]|isobenzofuran-1 (3H)-one|SCHEMBL22284|2-benzofuran-1(3 H)-one|Phthalide, analytical standard|2-Benzofuran-1(3H)-one #|F1172-0018|CHLORTALIDONE IMPURITY 7|DTXCID7031167|FEMA NO. 4195|3-oxo-1,3-dihydro-isobenzofuran|AMY3401|NSC1469|HMS1625A13|Tox21_303762|BDBM50491969|STK802334|AKOS000121167|CS-W016536|HY-W015820|CAS-87-41-2|2-Hydroxymethylbenzoic acid gamma lactone|NCGC00357058-01|SY001701|LS-109380|FT-0651582|FT-0756698|P0401|EN300-25532|A26520|AE-641/30105043|Q7188203|W-104026|2-Hydroxymethylbenzoic acid, laquo gammaRaquo -lactone|Z211309000|1,3-Dihydrobenzo[C]furan-2-one;2-Benzofuran-1(3H)-one;2-Hydroxymethylbenzoic acid, gamma-lactone;Phthalolactone |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.540 |
| Log Po/w (XLOGP3) : 0.800 |
| Log Po/w (WLOGP) : 1.210 |
| Log Po/w (MLOGP) : 1.540 |
| Log Po/w (SILICOS-IT) : 2.230 |
| Consensus Log Po/w : 1.460 |

