Ethanone, 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-
PubChem CID: 10609263
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| Compound Synonyms | 184706-61-4, 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone, DTXSID60442462, Ethanone, 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-, 2,2 inverted exclamation marka-Dihydroxy-4,6-dimethoxy-3-methylacetophenone, CHEMBL459912, DTXCID60393283, HY-N12439, DA-69624, CS-0906715, G89169, 2,2'-Dihydroxy-4,6-dimethoxy-3-methylacetophenone, 2,2a?Dihydroxy-4,6-dimethoxy-3-methylacetophenone |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C11H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GIXBAQKEJVBQMA-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Ethanone, 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 226.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 226.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1759135999999994 |
| Inchi | InChI=1S/C11H14O5/c1-6-8(15-2)4-9(16-3)10(11(6)14)7(13)5-12/h4,12,14H,5H2,1-3H3 |
| Smiles | CC1=C(C(=C(C=C1OC)OC)C(=O)CO)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Quinquecostata (Plant) Rel Props:Source_db:cmaup_ingredients