5-Hydroxy-7,8-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID: 122182398
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| Compound Synonyms | CHEMBL3594095 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7,8-dimethoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H12O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RKLOZIOELXTHBJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.546 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.501 |
| Compound Name | 5-Hydroxy-7,8-dimethoxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 224.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3269143999999993 |
| Inchi | InChI=1S/C11H12O5/c1-14-8-5-7(13)9-6(12)3-4-16-11(9)10(8)15-2/h5,13H,3-4H2,1-2H3 |
| Smiles | COC1=C(C2=C(C(=O)CCO2)C(=C1)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bellevalia Eigii (Plant) Rel Props:Source_db:cmaup_ingredients