(E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
PubChem CID: 6171852
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| Compound Synonyms | CHEMBL1774602, SCHEMBL19783025, SCHEMBL25197304, AKOS002719494 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYMZDQBBPCQOBK-XBXARRHUSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.224 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.174 |
| Compound Name | (E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8264763565217397 |
| Inchi | InChI=1S/C18H18O5/c1-21-13-6-7-14(17(11-13)22-2)15(19)8-4-12-5-9-16(20)18(10-12)23-3/h4-11,20H,1-3H3/b8-4+ |
| Smiles | COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients