6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxypyran-2-one
PubChem CID: 5319477
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| Compound Synonyms | 6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxypyran-2-one, SCHEMBL9016260, CHEBI:183584, DTXSID001155070, 77900-31-3, 6-[(1E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2H-pyran-2-one, 6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxy-2H-pyran-2-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxypyran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHVDGZPFCGLBOW-HWKANZROSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.916 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.926 |
| Compound Name | 6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxypyran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8779864 |
| Inchi | InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-13(16)14(7-10)19-2/h3-9,16H,1-2H3/b5-3+ |
| Smiles | COC1=CC(=O)OC(=C1)/C=C/C2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients