2-Propen-1-one,1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-
PubChem CID: 98120
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Propen-1-one,1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-, NCIOpen2_004362, DTXSID301347058, HMS3331B03, 6'-hydroxy-4,4'-dimethoxychalcone, DS-013599 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAAPAFSEMHJNTF-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.514 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.439 |
| Compound Name | 2-Propen-1-one,1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)- |
| 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 | -4.2407853428571425 |
| Inchi | InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adina Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients