1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone

C12H12O2S — CID 114725200

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C12H12O2S/c1-8-4-3-5-9-6-11(14-12(8)9)10(13)7-15-2/h3-6H,7H2,1-2H3
InChIKeyUDNPDXRROGTZGL-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.29
Rot. Bonds3

About 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone

1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone (PubChem CID 114725200) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
PubChem CID114725200
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C12H12O2S/c1-8-4-3-5-9-6-11(14-12(8)9)10(13)7-15-2/h3-6H,7H2,1-2H3
InChIKeyUDNPDXRROGTZGL-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105132029
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114736814
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 105132020

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone (CID 114725200) is 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone is CSCC(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone?
The InChIKey is UDNPDXRROGTZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-8-4-3-5-9-6-11(14-12(8)9)10(13)7-15-2/h3-6H,7H2,1-2H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone?
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone has a molecular weight of 220.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 114725200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).