3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
C13H18O3 — CID 107669388
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol (PubChem CID 107669388) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol.
Molecular Properties
| Compound Name | 3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol |
|---|---|
| PubChem CID | 107669388 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 g/mol |
| Exact Mass | 222.13 |
| IUPAC Name | 3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol |
| SMILES | CCc1ccc(OC2CC(O)C2)c(OC)c1 |
| InChI | InChI=1S/C13H18O3/c1-3-9-4-5-12(13(6-9)15-2)16-11-7-10(14)8-11/h4-6,10-11,14H,3,7-8H2,1-2H3 |
| InChIKey | CCGHBUMINQHKQN-UHFFFAOYSA-N |
| XLogP | 2.16 |
| TPSA | 38.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 222.28 |
| LogP ≤ 5 | 2.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Frequently Asked Questions
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Sources
- PubChem CID 107669388 — identifiers, structure, computed properties (public domain)
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