(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID: 89483275
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL14837404 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UEGGIRKULJYYBW-CMDGGOBGSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.13 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.392 |
| Compound Name | (E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-phenylprop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.761985342857143 |
| Inchi | InChI=1S/C17H16O4/c1-20-13-10-16(19)14(17(11-13)21-2)8-9-15(18)12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+ |
| Smiles | COC1=CC(=C(C(=C1)OC)/C=C/C(=O)C2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Saligna (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Limonia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dicranopteris Pedata (Plant) Rel Props:Source_db:cmaup_ingredients