About 2-(methoxymethyl)-2,3-dihydroinden-1-one
2-(methoxymethyl)-2,3-dihydroinden-1-one (PubChem CID 71409050) has the molecular formula C11H12O2
and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,3-dihydroinden-1-one.
Molecular Properties
| Compound Name | 2-(methoxymethyl)-2,3-dihydroinden-1-one |
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| PubChem CID | 71409050 |
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| Molecular Formula | C11H12O2 |
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| Molecular Weight | 176.22 g/mol |
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| Exact Mass | 176.08 |
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| IUPAC Name | 2-(methoxymethyl)-2,3-dihydroinden-1-one |
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| SMILES | COCC1Cc2ccccc2C1=O |
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| InChI | InChI=1S/C11H12O2/c1-13-7-9-6-8-4-2-3-5-10(8)11(9)12/h2-5,9H,6-7H2,1H3 |
|---|
| InChIKey | WWPZKOMOAPKNEQ-UHFFFAOYSA-N |
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| XLogP | 1.69 |
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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 | 2 |
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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 | 176.22 |
| LogP ≤ 5 | 1.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(methoxymethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(methoxymethyl)-2,3-dihydroinden-1-one (CID 71409050) is 2-(methoxymethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(methoxymethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(methoxymethyl)-2,3-dihydroinden-1-one is COCC1Cc2ccccc2C1=O.
What is the InChIKey of 2-(methoxymethyl)-2,3-dihydroinden-1-one?
The InChIKey is WWPZKOMOAPKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-7-9-6-8-4-2-3-5-10(8)11(9)12/h2-5,9H,6-7H2,1H3.
What are the key properties of 2-(methoxymethyl)-2,3-dihydroinden-1-one?
2-(methoxymethyl)-2,3-dihydroinden-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 71409050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).