About 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol (PubChem CID 43503851) has the molecular formula C14H20O3
and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol.
Molecular Properties
| Compound Name | 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol |
| PubChem CID | 43503851 |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.31 g/mol |
| Exact Mass | 236.14 |
| IUPAC Name | 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol |
| SMILES | COc1cc(C(C)O)ccc1OC1CCCC1 |
| InChI | InChI=1S/C14H20O3/c1-10(15)11-7-8-13(14(9-11)16-2)17-12-5-3-4-6-12/h7-10,12,15H,3-6H2,1-2H3 |
| InChIKey | ONQYMJHLPYDALT-UHFFFAOYSA-N |
| XLogP | 3.07 |
| TPSA | 38.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 236.31 |
| LogP ≤ 5 | 3.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol (CID 43503851) is 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol is COc1cc(C(C)O)ccc1OC1CCCC1.
What is the InChIKey of 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol?
The InChIKey is ONQYMJHLPYDALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(15)11-7-8-13(14(9-11)16-2)17-12-5-3-4-6-12/h7-10,12,15H,3-6H2,1-2H3.
What are the key properties of 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol?
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol has a molecular weight of 236.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 43503851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).