3-(4-Methoxyphenyl)-7-methyl-4H-chromen-4-one
PubChem CID: 584452
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-O-methylformononetin, 3-(4-Methoxyphenyl)-7-methyl-4H-chromen-4-one, 54889-75-7, CHEMBL464456, SCHEMBL10441792, DTXSID60342791, PJZVNCZNTQDLPS-UHFFFAOYSA-N, AKOS021917373, 3-(4-Methoxyphenyl)-7-methyl-4H-chromen-4-one #, 4H-1-Benzopyran-4-one,3-(4-methoxyphenyl)-7-methyl- |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-methoxyphenyl)-7-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJZVNCZNTQDLPS-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.177 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.215 |
| Compound Name | 3-(4-Methoxyphenyl)-7-methyl-4H-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6709351999999997 |
| Inchi | InChI=1S/C17H14O3/c1-11-3-8-14-16(9-11)20-10-15(17(14)18)12-4-6-13(19-2)7-5-12/h3-10H,1-2H3 |
| Smiles | CC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all