1-(2,3-dimethylphenyl)-2-methylsulfonylethanol

C11H16O3S — CID 115601467

IUPAC1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
SMILESCc1cccc(C(O)CS(C)(=O)=O)c1C
InChIInChI=1S/C11H16O3S/c1-8-5-4-6-10(9(8)2)11(12)7-15(3,13)14/h4-6,11-12H,7H2,1-3H3
InChIKeyMOBCYOBCGOJHDL-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.38
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol

1-(2,3-dimethylphenyl)-2-methylsulfonylethanol (PubChem CID 115601467) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
PubChem CID115601467
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
SMILESCc1cccc(C(O)CS(C)(=O)=O)c1C
InChIInChI=1S/C11H16O3S/c1-8-5-4-6-10(9(8)2)11(12)7-15(3,13)14/h4-6,11-12H,7H2,1-3H3
InChIKeyMOBCYOBCGOJHDL-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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Related Compounds

1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
4-(2,3-dimethylphenyl)-4-hydroxybutanenitrile
CID 130655462
1-(2,3-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115850415
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
CID 63899543
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926891
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol (CID 115601467) is 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol is Cc1cccc(C(O)CS(C)(=O)=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol?
The InChIKey is MOBCYOBCGOJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-8-5-4-6-10(9(8)2)11(12)7-15(3,13)14/h4-6,11-12H,7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol?
1-(2,3-dimethylphenyl)-2-methylsulfonylethanol 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 1-(2,3-dimethylphenyl)-2-methylsulfonylethanol is sourced from PubChem (CID 115601467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).