About 2-butyl-4-ethyl-6-propylphenol
2-butyl-4-ethyl-6-propylphenol (PubChem CID 66988794) has the molecular formula C15H24O
and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-butyl-4-ethyl-6-propylphenol.
Molecular Properties
| Compound Name | 2-butyl-4-ethyl-6-propylphenol |
| PubChem CID | 66988794 |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.36 g/mol |
| Exact Mass | 220.18 |
| IUPAC Name | 2-butyl-4-ethyl-6-propylphenol |
| SMILES | CCCCc1cc(CC)cc(CCC)c1O |
| InChI | InChI=1S/C15H24O/c1-4-7-9-14-11-12(6-3)10-13(8-5-2)15(14)16/h10-11,16H,4-9H2,1-3H3 |
| InChIKey | UGEUHNQEIFIZKX-UHFFFAOYSA-N |
| XLogP | 4.25 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 220.36 |
| LogP ≤ 5 | 4.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-butyl-4-ethyl-6-propylphenol?
The IUPAC name of 2-butyl-4-ethyl-6-propylphenol (CID 66988794) is 2-butyl-4-ethyl-6-propylphenol.
What is the SMILES notation for 2-butyl-4-ethyl-6-propylphenol?
The canonical SMILES for 2-butyl-4-ethyl-6-propylphenol is CCCCc1cc(CC)cc(CCC)c1O.
What is the InChIKey of 2-butyl-4-ethyl-6-propylphenol?
The InChIKey is UGEUHNQEIFIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-7-9-14-11-12(6-3)10-13(8-5-2)15(14)16/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-butyl-4-ethyl-6-propylphenol?
2-butyl-4-ethyl-6-propylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethyl-6-propylphenol is sourced from PubChem (CID 66988794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).