3'-Methoxynyasol
PubChem CID: 25218067
Connections displayed (default: 10).
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| Compound Synonyms | 3'-Methoxynyasol, CHEMBL509757 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(1Z)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C18H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | APVUNYPUJLEPIY-DAXSKMNVSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.38 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.457 |
| Compound Name | 3'-Methoxynyasol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 282.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.732558942857142 |
| Inchi | InChI=1S/C18H18O3/c1-3-14(7-4-13-5-9-16(19)10-6-13)15-8-11-17(20)18(12-15)21-2/h3-12,14,19-20H,1H2,2H3/b7-4- |
| Smiles | COC1=C(C=CC(=C1)C(C=C)/C=C\C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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