About 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol (PubChem CID 82891487) has the molecular formula C15H13Cl2FO
and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol.
Molecular Properties
| Compound Name | 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol |
| PubChem CID | 82891487 |
| Molecular Formula | C15H13Cl2FO |
| Molecular Weight | 299.17 g/mol |
| Exact Mass | 298.03 |
| IUPAC Name | 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol |
| SMILES | Cc1ccc(Cl)cc1C(O)Cc1c(F)cccc1Cl |
| InChI | InChI=1S/C15H13Cl2FO/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7,15,19H,8H2,1H3 |
| InChIKey | ZFNFEZRPYKWDGW-UHFFFAOYSA-N |
| XLogP | 4.72 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 299.17 |
| LogP ≤ 5 | 4.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol (CID 82891487) is 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol is Cc1ccc(Cl)cc1C(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
The InChIKey is ZFNFEZRPYKWDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol has a molecular weight of 299.17 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol is sourced from PubChem (CID 82891487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).