About 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol (PubChem CID 60794949) has the molecular formula C15H15ClO2
and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol.
Molecular Properties
| Compound Name | 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol |
| PubChem CID | 60794949 |
| Molecular Formula | C15H15ClO2 |
| Molecular Weight | 262.74 g/mol |
| Exact Mass | 262.08 |
| IUPAC Name | 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol |
| SMILES | COc1ccc(C(C)(O)c2ccccc2Cl)cc1 |
| InChI | InChI=1S/C15H15ClO2/c1-15(17,13-5-3-4-6-14(13)16)11-7-9-12(18-2)10-8-11/h3-10,17H,1-2H3 |
| InChIKey | OGASGJVPDFMBIR-UHFFFAOYSA-N |
| XLogP | 3.60 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 262.74 |
| LogP ≤ 5 | 3.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol (CID 60794949) is 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is OGASGJVPDFMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-15(17,13-5-3-4-6-14(13)16)11-7-9-12(18-2)10-8-11/h3-10,17H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol?
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 262.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60794949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).