(E)-4-(5,7-dimethoxy-2-oxochromen-8-yl)-2-methylbut-2-enal
PubChem CID: 101914292
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| Compound Synonyms | CHEMBL3426672 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 454.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-4-(5,7-dimethoxy-2-oxochromen-8-yl)-2-methylbut-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZYSRODKTAPDMH-ONNFQVAWSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.371 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.858 |
| Compound Name | (E)-4-(5,7-dimethoxy-2-oxochromen-8-yl)-2-methylbut-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1034347523809527 |
| Inchi | InChI=1S/C16H16O5/c1-10(9-17)4-5-11-13(19-2)8-14(20-3)12-6-7-15(18)21-16(11)12/h4,6-9H,5H2,1-3H3/b10-4+ |
| Smiles | C/C(=C\CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)/C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients