5,7-Dimethoxy-8-(2-methylprop-2-enyl)chromen-2-one
PubChem CID: 101914293
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| Compound Synonyms | CHEMBL3426671 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-8-(2-methylprop-2-enyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JVYKZDPQRAFZMD-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.783 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.794 |
| Compound Name | 5,7-Dimethoxy-8-(2-methylprop-2-enyl)chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7510654842105264 |
| Inchi | InChI=1S/C15H16O4/c1-9(2)7-11-13(18-4)8-12(17-3)10-5-6-14(16)19-15(10)11/h5-6,8H,1,7H2,2-4H3 |
| Smiles | CC(=C)CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients