Stilbostemin F
PubChem CID: 636713
Connections displayed (default: 10).
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| Compound Synonyms | Stilbostemin F, 3-[2-(3-hydroxy-2-methoxyphenyl)ethyl]-5-methoxy-2-methylphenol, CHEBI:70126, phenol, 3-[2-(3-hydroxy-2-methoxyphenyl)ethyl]-5-methoxy-2-methyl-, 3-[2-(3-Hydroxy-2-methoxy-phenyl)-ethyl]-5-methoxy-2-methyl-phenol, 3-(2-(3-hydroxy-2-methoxyphenyl)ethyl)-5-methoxy-2-methylphenol, 3-(2-(3-Hydroxy-2-methoxy-phenyl)-ethyl)-5-methoxy-2-methyl-phenol, phenol, 3-(2-(3-hydroxy-2-methoxyphenyl)ethyl)-5-methoxy-2-methyl-, CHEMBL464292, 439900-96-6, Q27138466 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(3-hydroxy-2-methoxyphenyl)ethyl]-5-methoxy-2-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XCEKLBSFNZXDES-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.404 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.604 |
| Compound Name | Stilbostemin F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.070483742857142 |
| Inchi | InChI=1S/C17H20O4/c1-11-13(9-14(20-2)10-16(11)19)8-7-12-5-4-6-15(18)17(12)21-3/h4-6,9-10,18-19H,7-8H2,1-3H3 |
| Smiles | CC1=C(C=C(C=C1O)OC)CCC2=C(C(=CC=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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