(2S)-2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
PubChem CID: 162935570
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C11H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HBOJXVDFLHJNLK-LURJTMIESA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -1.58 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.782 |
| Compound Name | (2S)-2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 226.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2309135999999996 |
| Inchi | InChI=1S/C11H14O5/c1-6(12)10(13)7-4-8(15-2)11(14)9(5-7)16-3/h4-6,12,14H,1-3H3/t6-/m0/s1 |
| Smiles | C[C@@H](C(=O)C1=CC(=C(C(=C1)OC)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Latazi (Plant) Rel Props:Source_db:cmaup_ingredients