5-hydroxy-2-methyl-4H-chromen-4-one
PubChem CID: 821390
Connections displayed (default: 10).
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| Compound Synonyms | 5-hydroxy-2-methylchromone, 1130-62-7, 5-hydroxy-2-methyl-4H-chromen-4-one, SCHEMBL620145, CHEMBL5219495, AKOS022639298, DB-123993, AK-087/42718289 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WELXSIFHTDZTJK-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.449 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.772 |
| Compound Name | 5-hydroxy-2-methyl-4H-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 176.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3393909692307693 |
| Inchi | InChI=1S/C10H8O3/c1-6-5-8(12)10-7(11)3-2-4-9(10)13-6/h2-5,11H,1H3 |
| Smiles | CC1=CC(=O)C2=C(C=CC=C2O1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Confusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Davallia Mariesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Isodon Lihsienensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Phoebe Clemensii (Plant) Rel Props:Source_db:cmaup_ingredients