2',6'-Dimethoxy-4'-hydroxyacetophenone
PubChem CID: 442904
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| Compound Synonyms | 2',6'-Dimethoxy-4'-hydroxyacetophenone, 13246-14-5, 1-(4-hydroxy-2,6-dimethoxyphenyl)ethanone, 1-(4-hydroxy-2,6-dimethoxyphenyl)ethan-1-one, C10684, 1-(4-HYDROXY-2,6-DIMETHOXY-PHENYL)-ETHANONE, AKOS006284213, AC1L9DM5, SureCN4743848, 4-acetyl-3,5-dimethoxyphenol, SCHEMBL4743848, CHEBI:27769, DTXSID10331998, DB-131885, 1-(4-hydroxy-2,6-dimethoxy-phenyl)ethanone, Q27103318 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-2,6-dimethoxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZRTXUQINTVMDW-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.331 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.994 |
| Compound Name | 2',6'-Dimethoxy-4'-hydroxyacetophenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.307895257142857 |
| Inchi | InChI=1S/C10H12O4/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3/h4-5,12H,1-3H3 |
| Smiles | CC(=O)C1=C(C=C(C=C1OC)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Henryi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Scrophularia Lepidota (Plant) Rel Props:Source_db:cmaup_ingredients