2-(4-Hydroxy-3-prop-2-enylphenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID: 5319211
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| Compound Synonyms | SCHEMBL18838049 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3-prop-2-enylphenyl)cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEGJXAGGLBXBLV-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.926 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.096 |
| Compound Name | 2-(4-Hydroxy-3-prop-2-enylphenyl)cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.877666266666666 |
| Inchi | InChI=1S/C15H12O3/c1-2-3-11-8-10(4-6-14(11)17)13-9-12(16)5-7-15(13)18/h2,4-9,17H,1,3H2 |
| Smiles | C=CCC1=C(C=CC(=C1)C2=CC(=O)C=CC2=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Rostrata (Plant) Rel Props:Source_db:cmaup_ingredients