5-Hydroxy-7-methoxy-2-propan-2-ylchromen-4-one
PubChem CID: 11413645
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL448577 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-methoxy-2-propan-2-ylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C13H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UEJGNIOMBXIDSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -2.852 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.672 |
| Compound Name | 5-Hydroxy-7-methoxy-2-propan-2-ylchromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 234.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8934503176470585 |
| Inchi | InChI=1S/C13H14O4/c1-7(2)11-6-10(15)13-9(14)4-8(16-3)5-12(13)17-11/h4-7,14H,1-3H3 |
| Smiles | CC(C)C1=CC(=O)C2=C(C=C(C=C2O1)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baeckea Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all