Benzofuran, 2,5-diacetyl-6-methoxy-
PubChem CID: 612527
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| Compound Synonyms | Benzofuran, 2,5-diacetyl-6-methoxy-, Euparone, methyl ether, 2,5-diacetyl-6-methoxybenzofuran, QJIYGTAEIRBFIS-UHFFFAOYSA-N, Ethanone, 1,1'-(6-methoxy-2,5-benzofurandiyl)bis- |
|---|---|
| Topological Polar Surface Area | 56.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(5-acetyl-6-methoxy-1-benzofuran-2-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C13H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJIYGTAEIRBFIS-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.299 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.275 |
| Compound Name | Benzofuran, 2,5-diacetyl-6-methoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7336217058823524 |
| Inchi | InChI=1S/C13H12O4/c1-7(14)10-4-9-5-11(8(2)15)17-12(9)6-13(10)16-3/h4-6H,1-3H3 |
| Smiles | CC(=O)C1=CC2=CC(=C(C=C2O1)OC)C(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flourensia Riparia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Plumbago Indica (Plant) Rel Props:Source_db:cmaup_ingredients