2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene

C12H18O3S — CID 144952178

IUPAC2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene
SMILESCc1cc(S(C)(=O)=O)ccc1OCC(C)C
InChIInChI=1S/C12H18O3S/c1-9(2)8-15-12-6-5-11(7-10(12)3)16(4,13)14/h5-7,9H,8H2,1-4H3
InChIKeyGIUSJIDVJHKJIP-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.43
Rot. Bonds4

About 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene

2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene (PubChem CID 144952178) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene
PubChem CID144952178
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene
SMILESCc1cc(S(C)(=O)=O)ccc1OCC(C)C
InChIInChI=1S/C12H18O3S/c1-9(2)8-15-12-6-5-11(7-10(12)3)16(4,13)14/h5-7,9H,8H2,1-4H3
InChIKeyGIUSJIDVJHKJIP-UHFFFAOYSA-N
XLogP2.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2-methylpropoxy)-4-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

4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
3-amino-4-(2-methylpropoxy)benzenesulfonic acid
CID 21223116
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride
CID 99109853
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
potassium trifluoro-[3-methyl-4-(2-methylpropoxy)phenyl]boranuide
CID 63677895
2,2,2-trifluoro-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 91656792
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
4-[3-methyl-4-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82051476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene?
The IUPAC name of 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene (CID 144952178) is 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene.
What is the SMILES notation for 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene?
The canonical SMILES for 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene is Cc1cc(S(C)(=O)=O)ccc1OCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene?
The InChIKey is GIUSJIDVJHKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-9(2)8-15-12-6-5-11(7-10(12)3)16(4,13)14/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene?
2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene has a molecular weight of 242.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene is sourced from PubChem (CID 144952178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).