5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenoxy)chromen-4-one
PubChem CID: 163087591
Connections displayed (default: 10).
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| Topological Polar Surface Area | 83.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenoxy)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXSJULHKLZWJCT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.753 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.767 |
| Compound Name | 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenoxy)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5547778 |
| Inchi | InChI=1S/C18H16O7/c1-21-10-4-6-11(7-5-10)24-15-8-12(19)16-13(25-15)9-14(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)OC2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients