2-Ethyl-5,7-dimethoxychromen-4-one
PubChem CID: 44559642
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| Compound Synonyms | CHEMBL506712 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-5,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C13H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LXNIQHSPVTWELO-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -3.034 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.674 |
| Compound Name | 2-Ethyl-5,7-dimethoxychromen-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 | -2.4746503176470585 |
| Inchi | InChI=1S/C13H14O4/c1-4-8-5-10(14)13-11(16-3)6-9(15-2)7-12(13)17-8/h5-7H,4H2,1-3H3 |
| Smiles | CCC1=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