2-(2,4,6-trimethylphenyl)sulfonylethanol

C11H16O3S — CID 116852753

IUPAC2-(2,4,6-trimethylphenyl)sulfonylethanol
SMILESCc1cc(C)c(S(=O)(=O)CCO)c(C)c1
InChIInChI=1S/C11H16O3S/c1-8-6-9(2)11(10(3)7-8)15(13,14)5-4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyVYEOFJMFDKVMDF-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.38
Rot. Bonds3

About 2-(2,4,6-trimethylphenyl)sulfonylethanol

2-(2,4,6-trimethylphenyl)sulfonylethanol (PubChem CID 116852753) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)sulfonylethanol
PubChem CID116852753
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-(2,4,6-trimethylphenyl)sulfonylethanol
SMILESCc1cc(C)c(S(=O)(=O)CCO)c(C)c1
InChIInChI=1S/C11H16O3S/c1-8-6-9(2)11(10(3)7-8)15(13,14)5-4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyVYEOFJMFDKVMDF-UHFFFAOYSA-N
XLogP1.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)sulfonylethanol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)sulfonylethanol (CID 116852753) is 2-(2,4,6-trimethylphenyl)sulfonylethanol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)sulfonylethanol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)sulfonylethanol is Cc1cc(C)c(S(=O)(=O)CCO)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)sulfonylethanol?
The InChIKey is VYEOFJMFDKVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-8-6-9(2)11(10(3)7-8)15(13,14)5-4-12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)sulfonylethanol?
2-(2,4,6-trimethylphenyl)sulfonylethanol has a molecular weight of 228.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)sulfonylethanol is sourced from PubChem (CID 116852753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).