About 8-ethenyl-2,3-dihydrochromen-4-one
8-ethenyl-2,3-dihydrochromen-4-one (PubChem CID 55297621) has the molecular formula C11H10O2
and a molecular weight of 174.20 g/mol. Its IUPAC name is 8-ethenyl-2,3-dihydrochromen-4-one.
Molecular Properties
| Compound Name | 8-ethenyl-2,3-dihydrochromen-4-one |
|---|
| PubChem CID | 55297621 |
|---|
| Molecular Formula | C11H10O2 |
|---|
| Molecular Weight | 174.20 g/mol |
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| Exact Mass | 174.07 |
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| IUPAC Name | 8-ethenyl-2,3-dihydrochromen-4-one |
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| SMILES | C=Cc1cccc2c1OCCC2=O |
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| InChI | InChI=1S/C11H10O2/c1-2-8-4-3-5-9-10(12)6-7-13-11(8)9/h2-5H,1,6-7H2 |
|---|
| InChIKey | CGFKCZAKHOZVGU-UHFFFAOYSA-N |
|---|
| XLogP | 2.29 |
|---|
| TPSA | 26.30 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 174.20 |
| LogP ≤ 5 | 2.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 8-ethenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-ethenyl-2,3-dihydrochromen-4-one (CID 55297621) is 8-ethenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-ethenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-ethenyl-2,3-dihydrochromen-4-one is C=Cc1cccc2c1OCCC2=O.
What is the InChIKey of 8-ethenyl-2,3-dihydrochromen-4-one?
The InChIKey is CGFKCZAKHOZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-2-8-4-3-5-9-10(12)6-7-13-11(8)9/h2-5H,1,6-7H2.
What are the key properties of 8-ethenyl-2,3-dihydrochromen-4-one?
8-ethenyl-2,3-dihydrochromen-4-one has a molecular weight of 174.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 55297621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).