About 2-ethyl-6-(4-ethylphenyl)phenol
2-ethyl-6-(4-ethylphenyl)phenol (PubChem CID 101302359) has the molecular formula C16H18O
and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethyl-6-(4-ethylphenyl)phenol.
Molecular Properties
| Compound Name | 2-ethyl-6-(4-ethylphenyl)phenol |
| PubChem CID | 101302359 |
| Molecular Formula | C16H18O |
| Molecular Weight | 226.32 g/mol |
| Exact Mass | 226.14 |
| IUPAC Name | 2-ethyl-6-(4-ethylphenyl)phenol |
| SMILES | CCc1ccc(-c2cccc(CC)c2O)cc1 |
| InChI | InChI=1S/C16H18O/c1-3-12-8-10-14(11-9-12)15-7-5-6-13(4-2)16(15)17/h5-11,17H,3-4H2,1-2H3 |
| InChIKey | YJBUWHXIGRCQOG-UHFFFAOYSA-N |
| XLogP | 4.18 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.32 |
| LogP ≤ 5 | 4.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-6-(4-ethylphenyl)phenol?
The IUPAC name of 2-ethyl-6-(4-ethylphenyl)phenol (CID 101302359) is 2-ethyl-6-(4-ethylphenyl)phenol.
What is the SMILES notation for 2-ethyl-6-(4-ethylphenyl)phenol?
The canonical SMILES for 2-ethyl-6-(4-ethylphenyl)phenol is CCc1ccc(-c2cccc(CC)c2O)cc1.
What is the InChIKey of 2-ethyl-6-(4-ethylphenyl)phenol?
The InChIKey is YJBUWHXIGRCQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-12-8-10-14(11-9-12)15-7-5-6-13(4-2)16(15)17/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-ethylphenyl)phenol?
2-ethyl-6-(4-ethylphenyl)phenol has a molecular weight of 226.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-ethylphenyl)phenol is sourced from PubChem (CID 101302359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).