2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene

C11H16O4S — CID 58551430

IUPAC2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
SMILESCOc1cc(C)ccc1OCCS(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-9-4-5-10(11(8-9)14-2)15-6-7-16(3,12)13/h4-5,8H,6-7H2,1-3H3
InChIKeySUUTVCJDIDJTLG-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.43
Rot. Bonds5

About 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene

2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene (PubChem CID 58551430) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
PubChem CID58551430
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
SMILESCOc1cc(C)ccc1OCCS(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-9-4-5-10(11(8-9)14-2)15-6-7-16(3,12)13/h4-5,8H,6-7H2,1-3H3
InChIKeySUUTVCJDIDJTLG-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene 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

1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
4-methoxy-3-(2-methylsulfonylethoxy)benzoic acid
CID 54937511
4-(bromomethyl)-1-methoxy-2-(2-methylsulfonylethoxy)benzene
CID 54914887
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
1-chloro-4-methyl-2-(3-methylsulfonylpropoxy)benzene
CID 71879390
1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 63191642
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene?
The IUPAC name of 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene (CID 58551430) is 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene is COc1cc(C)ccc1OCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene?
The InChIKey is SUUTVCJDIDJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-9-4-5-10(11(8-9)14-2)15-6-7-16(3,12)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene?
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene has a molecular weight of 244.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene is sourced from PubChem (CID 58551430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).