6-methyl-3-(methylsulfonylmethyl)-1-benzofuran

C11H12O3S — CID 117185515

IUPAC6-methyl-3-(methylsulfonylmethyl)-1-benzofuran
SMILESCc1ccc2c(CS(C)(=O)=O)coc2c1
InChIInChI=1S/C11H12O3S/c1-8-3-4-10-9(7-15(2,12)13)6-14-11(10)5-8/h3-6H,7H2,1-2H3
InChIKeyGFWRUICXWGPZRN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.29
Rot. Bonds2

About 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran

6-methyl-3-(methylsulfonylmethyl)-1-benzofuran (PubChem CID 117185515) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3-(methylsulfonylmethyl)-1-benzofuran
PubChem CID117185515
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name6-methyl-3-(methylsulfonylmethyl)-1-benzofuran
SMILESCc1ccc2c(CS(C)(=O)=O)coc2c1
InChIInChI=1S/C11H12O3S/c1-8-3-4-10-9(7-15(2,12)13)6-14-11(10)5-8/h3-6H,7H2,1-2H3
InChIKeyGFWRUICXWGPZRN-UHFFFAOYSA-N
XLogP2.29
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117185548
2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 60826703
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
actinium;6-methyl-1-benzofuran-3-ol
CID 59083990
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 47439324
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
5-methyl-3-(methylsulfonylmethyl)-1-benzothiophene
CID 117185057
3-(methylsulfonylmethyl)-1-benzofuran-7-ol
CID 117181008
(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 4816242
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran?
The IUPAC name of 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran (CID 117185515) is 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran.
What is the SMILES notation for 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran?
The canonical SMILES for 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran is Cc1ccc2c(CS(C)(=O)=O)coc2c1.
What is the InChIKey of 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran?
The InChIKey is GFWRUICXWGPZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-8-3-4-10-9(7-15(2,12)13)6-14-11(10)5-8/h3-6H,7H2,1-2H3.
What are the key properties of 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran?
6-methyl-3-(methylsulfonylmethyl)-1-benzofuran has a molecular weight of 224.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylsulfonylmethyl)-1-benzofuran is sourced from PubChem (CID 117185515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).