1-(2,6-Dimethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one
PubChem CID: 13965863
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL491993 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,6-dimethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C24H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DBXOINQVJUWNRR-UHFFFAOYSA-N |
| Fcsp3 | 0.4583333333333333 |
| Logs | -6.578 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.397 |
| Compound Name | 1-(2,6-Dimethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 384.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.759242057142856 |
| Inchi | InChI=1S/C24H32O4/c1-26-20-17-15-19(16-18-20)11-8-6-4-5-7-9-12-21(25)24-22(27-2)13-10-14-23(24)28-3/h10,13-18H,4-9,11-12H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)CCCCCCCCC(=O)C2=C(C=CC=C2OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
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