4-methoxy-1-methyl-2-methylsulfonylbenzene

C9H12O3S — CID 20773204

IUPAC4-methoxy-1-methyl-2-methylsulfonylbenzene
SMILESCOc1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C9H12O3S/c1-7-4-5-8(12-2)6-9(7)13(3,10)11/h4-6H,1-3H3
InChIKeyNKIMXSLEELCANW-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.41
Rot. Bonds2

About 4-methoxy-1-methyl-2-methylsulfonylbenzene

4-methoxy-1-methyl-2-methylsulfonylbenzene (PubChem CID 20773204) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-methoxy-1-methyl-2-methylsulfonylbenzene.

Molecular Properties

Compound Name4-methoxy-1-methyl-2-methylsulfonylbenzene
PubChem CID20773204
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name4-methoxy-1-methyl-2-methylsulfonylbenzene
SMILESCOc1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C9H12O3S/c1-7-4-5-8(12-2)6-9(7)13(3,10)11/h4-6H,1-3H3
InChIKeyNKIMXSLEELCANW-UHFFFAOYSA-N
XLogP1.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-methyl-2-methylsulfonylbenzene 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

1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
2-iodo-4-methoxy-1-methylsulfonylbenzene
CID 122362550
2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine
CID 84802031
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide
CID 167101167
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
5-methoxy-2-methyl-3-methylsulfonylpyridine
CID 167144951
1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
4-methoxy-2-methyl-N-(3-methylsulfonylpropyl)aniline
CID 55160613

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-2-methylsulfonylbenzene?
The IUPAC name of 4-methoxy-1-methyl-2-methylsulfonylbenzene (CID 20773204) is 4-methoxy-1-methyl-2-methylsulfonylbenzene.
What is the SMILES notation for 4-methoxy-1-methyl-2-methylsulfonylbenzene?
The canonical SMILES for 4-methoxy-1-methyl-2-methylsulfonylbenzene is COc1ccc(C)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-methoxy-1-methyl-2-methylsulfonylbenzene?
The InChIKey is NKIMXSLEELCANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-7-4-5-8(12-2)6-9(7)13(3,10)11/h4-6H,1-3H3.
What are the key properties of 4-methoxy-1-methyl-2-methylsulfonylbenzene?
4-methoxy-1-methyl-2-methylsulfonylbenzene has a molecular weight of 200.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-2-methylsulfonylbenzene is sourced from PubChem (CID 20773204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).