1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone

C15H16O3S — CID 62997188

IUPAC1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
SMILESO=C(CSC1CCOCC1)c1coc2ccccc12
InChIInChI=1S/C15H16O3S/c16-14(10-19-11-5-7-17-8-6-11)13-9-18-15-4-2-1-3-12(13)15/h1-4,9,11H,5-8,10H2
InChIKeyFFRVRBSPOQHCEF-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.53
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone

1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone (PubChem CID 62997188) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
PubChem CID62997188
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
SMILESO=C(CSC1CCOCC1)c1coc2ccccc12
InChIInChI=1S/C15H16O3S/c16-14(10-19-11-5-7-17-8-6-11)13-9-18-15-4-2-1-3-12(13)15/h1-4,9,11H,5-8,10H2
InChIKeyFFRVRBSPOQHCEF-UHFFFAOYSA-N
XLogP3.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-(2,5-dichlorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997176
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114224631
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
CID 65320067
1-(1-benzofuran-3-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659750
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
CID 136544061
1-(3-fluorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997006

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone (CID 62997188) is 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone is O=C(CSC1CCOCC1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone?
The InChIKey is FFRVRBSPOQHCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c16-14(10-19-11-5-7-17-8-6-11)13-9-18-15-4-2-1-3-12(13)15/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone?
1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone has a molecular weight of 276.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone is sourced from PubChem (CID 62997188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).