1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone

C12H12O3S — CID 64639066

IUPAC1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
SMILESCCS(=O)CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H12O3S/c1-2-16(14)8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3
InChIKeyHGRGUTRTBFXWDS-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.38
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone

1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone (PubChem CID 64639066) has the molecular formula C12H12O3S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
PubChem CID64639066
Molecular FormulaC12H12O3S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
SMILESCCS(=O)CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H12O3S/c1-2-16(14)8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3
InChIKeyHGRGUTRTBFXWDS-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797958
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
1-(1-benzofuran-2-yl)-3,5-dimethylhexan-1-one
CID 114200671
1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
CID 64636555

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone (CID 64639066) is 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone is CCS(=O)CC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone?
The InChIKey is HGRGUTRTBFXWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S/c1-2-16(14)8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone?
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone has a molecular weight of 236.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone is sourced from PubChem (CID 64639066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).