About 2-(4-methylphenoxy)cyclohexan-1-one
2-(4-methylphenoxy)cyclohexan-1-one (PubChem CID 10965621) has the molecular formula C13H16O2
and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-methylphenoxy)cyclohexan-1-one.
Molecular Properties
| Compound Name | 2-(4-methylphenoxy)cyclohexan-1-one |
|---|
| PubChem CID | 10965621 |
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| Molecular Formula | C13H16O2 |
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| Molecular Weight | 204.27 g/mol |
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| Exact Mass | 204.12 |
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| IUPAC Name | 2-(4-methylphenoxy)cyclohexan-1-one |
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| SMILES | Cc1ccc(OC2CCCCC2=O)cc1 |
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| InChI | InChI=1S/C13H16O2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3 |
|---|
| InChIKey | AAMBHRUVEVXJAI-UHFFFAOYSA-N |
|---|
| XLogP | 2.89 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 204.27 |
| LogP ≤ 5 | 2.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methylphenoxy)cyclohexan-1-one?
The IUPAC name of 2-(4-methylphenoxy)cyclohexan-1-one (CID 10965621) is 2-(4-methylphenoxy)cyclohexan-1-one.
What is the SMILES notation for 2-(4-methylphenoxy)cyclohexan-1-one?
The canonical SMILES for 2-(4-methylphenoxy)cyclohexan-1-one is Cc1ccc(OC2CCCCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)cyclohexan-1-one?
The InChIKey is AAMBHRUVEVXJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-(4-methylphenoxy)cyclohexan-1-one?
2-(4-methylphenoxy)cyclohexan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)cyclohexan-1-one is sourced from PubChem (CID 10965621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).