About 2-ethoxy-4-phenylcyclopent-2-en-1-one
2-ethoxy-4-phenylcyclopent-2-en-1-one (PubChem CID 45093932) has the molecular formula C13H14O2
and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-ethoxy-4-phenylcyclopent-2-en-1-one.
Molecular Properties
| Compound Name | 2-ethoxy-4-phenylcyclopent-2-en-1-one |
|---|
| PubChem CID | 45093932 |
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| Molecular Formula | C13H14O2 |
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| Molecular Weight | 202.25 g/mol |
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| Exact Mass | 202.10 |
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| IUPAC Name | 2-ethoxy-4-phenylcyclopent-2-en-1-one |
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| SMILES | CCOC1=CC(c2ccccc2)CC1=O |
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| InChI | InChI=1S/C13H14O2/c1-2-15-13-9-11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3 |
|---|
| InChIKey | QBFSNVNZYBPOTD-UHFFFAOYSA-N |
|---|
| XLogP | 2.66 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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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 | 202.25 |
| LogP ≤ 5 | 2.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxy-4-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-ethoxy-4-phenylcyclopent-2-en-1-one (CID 45093932) is 2-ethoxy-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-ethoxy-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-ethoxy-4-phenylcyclopent-2-en-1-one is CCOC1=CC(c2ccccc2)CC1=O.
What is the InChIKey of 2-ethoxy-4-phenylcyclopent-2-en-1-one?
The InChIKey is QBFSNVNZYBPOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-15-13-9-11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3.
What are the key properties of 2-ethoxy-4-phenylcyclopent-2-en-1-one?
2-ethoxy-4-phenylcyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 45093932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).