1-(4-ethylcyclohexyl)-2-methylsulfonylethanol

C11H22O3S — CID 115643076

IUPAC1-(4-ethylcyclohexyl)-2-methylsulfonylethanol
SMILESCCC1CCC(C(O)CS(C)(=O)=O)CC1
InChIInChI=1S/C11H22O3S/c1-3-9-4-6-10(7-5-9)11(12)8-15(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyWWBCNSVZSKRWIN-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol

1-(4-ethylcyclohexyl)-2-methylsulfonylethanol (PubChem CID 115643076) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methylsulfonylethanol
PubChem CID115643076
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-(4-ethylcyclohexyl)-2-methylsulfonylethanol
SMILESCCC1CCC(C(O)CS(C)(=O)=O)CC1
InChIInChI=1S/C11H22O3S/c1-3-9-4-6-10(7-5-9)11(12)8-15(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyWWBCNSVZSKRWIN-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65392483
1-(4-aminocyclohexyl)-2-methylsulfonylethanol;2,2,2-trifluoroacetic acid
CID 138688262
1-cyclopropyl-3-methylsulfonylpropan-2-ol
CID 112692656
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
CID 79566774
methyl 3-(4-ethylcyclohexyl)-3-hydroxypropanoate
CID 148778658
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
2-cyclopropyl-2-hydroxyethanesulfonamide
CID 115013055
4-chloro-1-(4-ethylcyclohexyl)butan-1-ol
CID 66044448
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol (CID 115643076) is 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol is CCC1CCC(C(O)CS(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol?
The InChIKey is WWBCNSVZSKRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-3-9-4-6-10(7-5-9)11(12)8-15(2,13)14/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol?
1-(4-ethylcyclohexyl)-2-methylsulfonylethanol has a molecular weight of 234.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methylsulfonylethanol is sourced from PubChem (CID 115643076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).