6-Methoxy-3-(4-methoxyphenyl)-7-methylchromen-4-one
PubChem CID: 44567059
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL465447 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-3-(4-methoxyphenyl)-7-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMBQERKOHQZKCY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.413 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.159 |
| Compound Name | 6-Methoxy-3-(4-methoxyphenyl)-7-methylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7183782181818184 |
| Inchi | InChI=1S/C18H16O4/c1-11-8-17-14(9-16(11)21-3)18(19)15(10-22-17)12-4-6-13(20-2)7-5-12/h4-10H,1-3H3 |
| Smiles | CC1=CC2=C(C=C1OC)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