5,7-Dimethoxy-2-propan-2-ylchromen-4-one
PubChem CID: 10879462
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| Compound Synonyms | CHEMBL454539 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-2-propan-2-ylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VVYHDHMKQMHFSH-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.489 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.87 |
| Compound Name | 5,7-Dimethoxy-2-propan-2-ylchromen-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 | -2.7453347111111106 |
| Inchi | InChI=1S/C14H16O4/c1-8(2)11-7-10(15)14-12(17-4)5-9(16-3)6-13(14)18-11/h5-8H,1-4H3 |
| Smiles | CC(C)C1=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