(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID: 118725715
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| Compound Synonyms | CHEMBL3393850 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-propan-2-ylphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IOUMYYINEDYFTK-MDZDMXLPSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.99 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.971 |
| Compound Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-propan-2-ylphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.962430400000001 |
| Inchi | InChI=1S/C20H22O4/c1-13(2)16-8-6-5-7-14(16)9-10-17(21)20-18(22)11-15(23-3)12-19(20)24-4/h5-13,22H,1-4H3/b10-9+ |
| Smiles | CC(C)C1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients