1-(2,6-Dimethoxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
PubChem CID: 44576023
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| Compound Synonyms | CHEMBL491790 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,6-dimethoxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.1 |
| Molecular Formula | C23H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WUIAFOCKBCEKLG-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -5.378 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.223 |
| Compound Name | 1-(2,6-Dimethoxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one |
| 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 | -5.548420688888889 |
| Inchi | InChI=1S/C23H30O4/c1-26-21-12-9-13-22(27-2)23(21)20(25)11-8-6-4-3-5-7-10-18-14-16-19(24)17-15-18/h9,12-17,24H,3-8,10-11H2,1-2H3 |
| Smiles | COC1=C(C(=CC=C1)OC)C(=O)CCCCCCCCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all