1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene

C11H16O3S — CID 112727927

IUPAC1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
SMILESCc1ccc(C)c(OCCS(C)(=O)=O)c1
InChIInChI=1S/C11H16O3S/c1-9-4-5-10(2)11(8-9)14-6-7-15(3,12)13/h4-5,8H,6-7H2,1-3H3
InChIKeyBIMONPJCCMTJKE-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.73
Rot. Bonds4

About 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene

1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene (PubChem CID 112727927) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
PubChem CID112727927
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
SMILESCc1ccc(C)c(OCCS(C)(=O)=O)c1
InChIInChI=1S/C11H16O3S/c1-9-4-5-10(2)11(8-9)14-6-7-15(3,12)13/h4-5,8H,6-7H2,1-3H3
InChIKeyBIMONPJCCMTJKE-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430
1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
1-chloro-4-methyl-2-(3-methylsulfonylpropoxy)benzene
CID 71879390
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
1,4-dimethyl-2-pentoxybenzene
CID 59184214
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-hex-5-ynoxy-1,4-dimethylbenzene
CID 82363036
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63327030

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene?
The IUPAC name of 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene (CID 112727927) is 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene?
The canonical SMILES for 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene is Cc1ccc(C)c(OCCS(C)(=O)=O)c1.
What is the InChIKey of 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene?
The InChIKey is BIMONPJCCMTJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9-4-5-10(2)11(8-9)14-6-7-15(3,12)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene?
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene has a molecular weight of 228.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene is sourced from PubChem (CID 112727927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).