2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid

C11H14O5S — CID 66887294

IUPAC2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid
SMILESCC(C)(Oc1ccccc1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H14O5S/c1-11(2,10(12)13)16-8-6-4-5-7-9(8)17(3,14)15/h4-7H,1-3H3,(H,12,13)
InChIKeyATWPTTDYIJFEDE-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.33
Rot. Bonds4

About 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid

2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid (PubChem CID 66887294) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid
PubChem CID66887294
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid
SMILESCC(C)(Oc1ccccc1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H14O5S/c1-11(2,10(12)13)16-8-6-4-5-7-9(8)17(3,14)15/h4-7H,1-3H3,(H,12,13)
InChIKeyATWPTTDYIJFEDE-UHFFFAOYSA-N
XLogP1.33
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethenylphenoxy)-2-methylpropanoic acid
CID 135013356
6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 125498323
2-[2-(3-amino-3-oxopropyl)phenoxy]-2-methylpropanoic acid
CID 67408268
5-methyl-2-(2-methylsulfonylphenoxy)benzoic acid
CID 61396262
2-[2-(6,6-dimethylheptyl)phenoxy]-2-methylpropanoic acid
CID 175074587
2-methyl-2-thiophen-2-yloxypropanoic acid
CID 70544771
(2-methylsulfonylphenyl) 1H-pyrrole-2-carboxylate
CID 174926523
2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
CID 121418636
(2-methylsulfonylphenyl)-phenylphosphane
CID 71101597
2-(2-bromopropan-2-yloxy)benzenesulfonic acid;hydrochloride
CID 174951695
[2-[3-(2-methylsulfonylphenyl)thiophen-2-yl]phenyl] trifluoromethanesulfonate
CID 22316950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid (CID 66887294) is 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid is CC(C)(Oc1ccccc1S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid?
The InChIKey is ATWPTTDYIJFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5S/c1-11(2,10(12)13)16-8-6-4-5-7-9(8)17(3,14)15/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid?
2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid has a molecular weight of 258.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid is sourced from PubChem (CID 66887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).