About 4-(4-ethylphenyl)-3-methylphenol
4-(4-ethylphenyl)-3-methylphenol (PubChem CID 83130010) has the molecular formula C15H16O
and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-methylphenol.
Molecular Properties
| Compound Name | 4-(4-ethylphenyl)-3-methylphenol |
| PubChem CID | 83130010 |
| Molecular Formula | C15H16O |
| Molecular Weight | 212.29 g/mol |
| Exact Mass | 212.12 |
| IUPAC Name | 4-(4-ethylphenyl)-3-methylphenol |
| SMILES | CCc1ccc(-c2ccc(O)cc2C)cc1 |
| InChI | InChI=1S/C15H16O/c1-3-12-4-6-13(7-5-12)15-9-8-14(16)10-11(15)2/h4-10,16H,3H2,1-2H3 |
| InChIKey | LMZJUDGMKNNXOG-UHFFFAOYSA-N |
| XLogP | 3.93 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.29 |
| LogP ≤ 5 | 3.93 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-(4-ethylphenyl)-3-methylphenol?
The IUPAC name of 4-(4-ethylphenyl)-3-methylphenol (CID 83130010) is 4-(4-ethylphenyl)-3-methylphenol.
What is the SMILES notation for 4-(4-ethylphenyl)-3-methylphenol?
The canonical SMILES for 4-(4-ethylphenyl)-3-methylphenol is CCc1ccc(-c2ccc(O)cc2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-methylphenol?
The InChIKey is LMZJUDGMKNNXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-3-12-4-6-13(7-5-12)15-9-8-14(16)10-11(15)2/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-3-methylphenol?
4-(4-ethylphenyl)-3-methylphenol has a molecular weight of 212.29 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-methylphenol is sourced from PubChem (CID 83130010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).