5,7-Dimethoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
PubChem CID: 5319700
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| Topological Polar Surface Area | 36.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-6-(1-methoxyethyl)-2,2-dimethylchromene |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XLKJBEGLMREUSD-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.844 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.399 |
| Compound Name | 5,7-Dimethoxy-6-(1-methoxyethyl)-2,2-dimethylchromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 278.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3129575999999994 |
| Inchi | InChI=1S/C16H22O4/c1-10(17-4)14-13(18-5)9-12-11(15(14)19-6)7-8-16(2,3)20-12/h7-10H,1-6H3 |
| Smiles | CC(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients