6-(1-Ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromene
PubChem CID: 5317254
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| Topological Polar Surface Area | 36.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(1-ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromene |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JFBJNSYQXGGCML-UHFFFAOYSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -4.207 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.799 |
| Compound Name | 6-(1-Ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.556453571428572 |
| Inchi | InChI=1S/C17H24O4/c1-7-20-11(2)15-14(18-5)10-13-12(16(15)19-6)8-9-17(3,4)21-13/h8-11H,7H2,1-6H3 |
| Smiles | CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients