1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-one
PubChem CID: 155552239
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4546778 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YZIBVYCWHAWMGN-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.63 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.627 |
| Compound Name | 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 252.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5352886666666667 |
| Inchi | InChI=1S/C14H20O4/c1-7(2)6-10(15)11-13(17)8(3)12(16)9(4)14(11)18-5/h7,16-17H,6H2,1-5H3 |
| Smiles | CC1=C(C(=C(C(=C1O)C(=O)CC(C)C)OC)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients