1-(7-Methoxy-2-oxochromen-8-yl)-3-methylbutane-1,2-dione
PubChem CID: 101914295
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| Compound Synonyms | CHEMBL3426669 |
|---|---|
| Topological Polar Surface Area | 69.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutane-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLRWWSBVTODTKM-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.927 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.927 |
| Compound Name | 1-(7-Methoxy-2-oxochromen-8-yl)-3-methylbutane-1,2-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9992864 |
| Inchi | InChI=1S/C15H14O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-8H,1-3H3 |
| Smiles | CC(C)C(=O)C(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients