5-Hydroxy-3-methoxyxanthone
PubChem CID: 57490839
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| Compound Synonyms | 5-hydroxy-3-methoxyxanthone, CHEMBL4543469 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-methoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGEOTHJTYYISJW-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.638 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.755 |
| Compound Name | 5-Hydroxy-3-methoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8169815555555555 |
| Inchi | InChI=1S/C14H10O4/c1-17-8-5-6-9-12(7-8)18-14-10(13(9)16)3-2-4-11(14)15/h2-7,15H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Elodeoides (Plant) Rel Props:Source_db:cmaup_ingredients