2-(3-Methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID: 44584421
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL465611 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OCFCZRKHWGEMCY-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.564 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.53 |
| Compound Name | 2-(3-Methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.072434400000001 |
| Inchi | InChI=1S/C17H16O3/c1-9(2)10(3)14-8-13-15(18)11-6-4-5-7-12(11)16(19)17(13)20-14/h4-7,14H,8H2,1-3H3 |
| Smiles | CC(=C(C)C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=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