About 1-cyclobutyl-2-(4-ethylphenyl)ethanol
1-cyclobutyl-2-(4-ethylphenyl)ethanol (PubChem CID 64986891) has the molecular formula C14H20O
and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-cyclobutyl-2-(4-ethylphenyl)ethanol.
Molecular Properties
| Compound Name | 1-cyclobutyl-2-(4-ethylphenyl)ethanol |
| PubChem CID | 64986891 |
| Molecular Formula | C14H20O |
| Molecular Weight | 204.31 g/mol |
| Exact Mass | 204.15 |
| IUPAC Name | 1-cyclobutyl-2-(4-ethylphenyl)ethanol |
| SMILES | CCc1ccc(CC(O)C2CCC2)cc1 |
| InChI | InChI=1S/C14H20O/c1-2-11-6-8-12(9-7-11)10-14(15)13-4-3-5-13/h6-9,13-15H,2-5,10H2,1H3 |
| InChIKey | FPUHWRKTHFJHBP-UHFFFAOYSA-N |
| XLogP | 2.95 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 204.31 |
| LogP ≤ 5 | 2.95 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(4-ethylphenyl)ethanol (CID 64986891) is 1-cyclobutyl-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
The InChIKey is FPUHWRKTHFJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-11-6-8-12(9-7-11)10-14(15)13-4-3-5-13/h6-9,13-15H,2-5,10H2,1H3.
What are the key properties of 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
1-cyclobutyl-2-(4-ethylphenyl)ethanol has a molecular weight of 204.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 64986891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).