About 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol (PubChem CID 60798981) has the molecular formula C15H15ClO
and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol.
Molecular Properties
| Compound Name | 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol |
| PubChem CID | 60798981 |
| Molecular Formula | C15H15ClO |
| Molecular Weight | 246.74 g/mol |
| Exact Mass | 246.08 |
| IUPAC Name | 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol |
| SMILES | Cc1ccc(C(O)Cc2ccc(Cl)cc2)cc1 |
| InChI | InChI=1S/C15H15ClO/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h2-9,15,17H,10H2,1H3 |
| InChIKey | UCXUYVNJOAIVMT-UHFFFAOYSA-N |
| XLogP | 3.92 |
| 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 | 246.74 |
| LogP ≤ 5 | 3.92 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol (CID 60798981) is 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol?
The InChIKey is UCXUYVNJOAIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol?
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol has a molecular weight of 246.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 60798981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).