8-Hydroxybenzo[f][1]benzofuran-4,9-dione
PubChem CID: 10443215
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | Occcccc6C=O)coccc5C9=O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Naphthofurans |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2OCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxybenzo[f][1]benzofuran-4,9-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H6O4 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2occc21 |
| Inchi Key | SWJGKVQLUWDFRB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 8-hydroxy isomer (isodiodantunezone), isodiodantunezone |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO, coc |
| Compound Name | 8-Hydroxybenzo[f][1]benzofuran-4,9-dione |
| Exact Mass | 214.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 214.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H6O4/c13-8-3-1-2-6-9(8)11(15)12-7(10(6)14)4-5-16-12/h1-5,13H |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CO3 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
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