5,7-Dimethoxy-2-propylchromen-4-one
PubChem CID: 44559643
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| Compound Synonyms | CHEMBL454845 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-2-propylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OWKICUYZFSTQDO-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.885 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.994 |
| Compound Name | 5,7-Dimethoxy-2-propylchromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 248.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 248.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.698234711111111 |
| Inchi | InChI=1S/C14H16O4/c1-4-5-9-6-11(15)14-12(17-3)7-10(16-2)8-13(14)18-9/h6-8H,4-5H2,1-3H3 |
| Smiles | CCCC1=CC(=O)C2=C(O1)C=C(C=C2OC)OC |
| 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