1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
PubChem CID: 5321450
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Baeckeol, SCHEMBL11420620, CHEBI:229065, 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropan-1-one, 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methyl-1-propanone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C13H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FEPANGQIGHBDFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -3.231 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.112 |
| Compound Name | 1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 238.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2990310705882346 |
| Inchi | InChI=1S/C13H18O4/c1-7(2)12(14)11-10(17-5)6-9(16-4)8(3)13(11)15/h6-7,15H,1-5H3 |
| Smiles | CC1=C(C(=C(C=C1OC)OC)C(=O)C(C)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baeckea Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients