1-(2-Hydroxy-6-methoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone
PubChem CID: 13965862
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL491791, 1-(2-hydroxy-6-methoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-6-methoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Molecular Formula | C23H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTCDLTSVWNEFFF-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -5.943 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.403 |
| Compound Name | 1-(2-Hydroxy-6-methoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 370.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.894920688888889 |
| Inchi | InChI=1S/C23H30O4/c1-26-19-16-14-18(15-17-19)10-7-5-3-4-6-8-11-20(24)23-21(25)12-9-13-22(23)27-2/h9,12-17,25H,3-8,10-11H2,1-2H3 |
| Smiles | COC1=CC=C(C=C1)CCCCCCCCC(=O)C2=C(C=CC=C2OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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