1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone

C12H14O2S — CID 114744136

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C12H14O2S/c1-2-15-8-11(13)10-5-3-4-9-6-7-14-12(9)10/h3-5H,2,6-8H2,1H3
InChIKeyQJHJFWTUSJAJIU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone (PubChem CID 114744136) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
PubChem CID114744136
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C12H14O2S/c1-2-15-8-11(13)10-5-3-4-9-6-7-14-12(9)10/h3-5H,2,6-8H2,1H3
InChIKeyQJHJFWTUSJAJIU-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone
CID 114744205
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
CID 105135090

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone (CID 114744136) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone is CCSCC(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone?
The InChIKey is QJHJFWTUSJAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-2-15-8-11(13)10-5-3-4-9-6-7-14-12(9)10/h3-5H,2,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone has a molecular weight of 222.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone is sourced from PubChem (CID 114744136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).