5-Hydroxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID: 44584422
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| Compound Synonyms | CHEMBL450494 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 565.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AGCMZPBVRANPQK-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.712 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.175 |
| Compound Name | 5-Hydroxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.287056771428572 |
| Inchi | InChI=1S/C17H16O4/c1-8(2)9(3)13-7-11-15(19)14-10(5-4-6-12(14)18)16(20)17(11)21-13/h4-6,13,18H,7H2,1-3H3 |
| Smiles | CC(=C(C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crescentia Cujete (Plant) Rel Props:Source_db:cmaup_ingredients