[1-Hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] acetate
PubChem CID: 5319958
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| Topological Polar Surface Area | 82.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C17H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VUUGQCANCJNEDZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -3.151 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.647 |
| Compound Name | [1-Hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 320.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.148753330434783 |
| Inchi | InChI=1S/C17H20O6/c1-9(2)16(22-10(3)18)15(20)14-12(21-4)7-5-11-6-8-13(19)23-17(11)14/h5-9,15-16,20H,1-4H3 |
| Smiles | CC(C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients