(E)-3-(4-Hydroxy-3-Methoxyphenyl)-1-(4-Hydroxyphenyl)Prop-2-En-1-One
PubChem CID: 10659647
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (e)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one, SCHEMBL597849, CHEMBL2263299, Z46032339 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHEDQLDLYXAMNI-KRXBUXKQSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.328 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.799 |
| Compound Name | (E)-3-(4-Hydroxy-3-Methoxyphenyl)-1-(4-Hydroxyphenyl)Prop-2-En-1-One |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6109608 |
| Inchi | InChI=1S/C16H14O4/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,17,19H,1H3/b8-2+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all