2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran

C12H14O3S — CID 117185797

IUPAC2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran
SMILESCCS(=O)(=O)Cc1cc2ccc(C)cc2o1
InChIInChI=1S/C12H14O3S/c1-3-16(13,14)8-11-7-10-5-4-9(2)6-12(10)15-11/h4-7H,3,8H2,1-2H3
InChIKeyQVGFDVBRRAXDEZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.68
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran

2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran (PubChem CID 117185797) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran
PubChem CID117185797
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran
SMILESCCS(=O)(=O)Cc1cc2ccc(C)cc2o1
InChIInChI=1S/C12H14O3S/c1-3-16(13,14)8-11-7-10-5-4-9(2)6-12(10)15-11/h4-7H,3,8H2,1-2H3
InChIKeyQVGFDVBRRAXDEZ-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
CID 117175888
3-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504582
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran
CID 122202477
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
ethyl 2-(6-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072591
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
2-ethenyl-6-methyl-1-benzofuran
CID 142567600
6-methylchromen-2-one;sulfuryl dichloride
CID 174587429
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
(7-methyl-2-oxochromen-3-yl)methyl hypoiodite
CID 155721397
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran?
The IUPAC name of 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran (CID 117185797) is 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran?
The canonical SMILES for 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran is CCS(=O)(=O)Cc1cc2ccc(C)cc2o1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran?
The InChIKey is QVGFDVBRRAXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-3-16(13,14)8-11-7-10-5-4-9(2)6-12(10)15-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran?
2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran has a molecular weight of 238.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran is sourced from PubChem (CID 117185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).