4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol

C12H24O3S — CID 63196200

IUPAC4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(CCCS(C)(=O)=O)C1
InChIInChI=1S/C12H24O3S/c1-3-10-6-7-12(13)11(9-10)5-4-8-16(2,14)15/h10-13H,3-9H2,1-2H3
InChIKeyJLVRHRAYLYDQKX-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.00
Rot. Bonds5

About 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol

4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol (PubChem CID 63196200) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
PubChem CID63196200
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(CCCS(C)(=O)=O)C1
InChIInChI=1S/C12H24O3S/c1-3-10-6-7-12(13)11(9-10)5-4-8-16(2,14)15/h10-13H,3-9H2,1-2H3
InChIKeyJLVRHRAYLYDQKX-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol (CID 63196200) is 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol is CCC1CCC(O)C(CCCS(C)(=O)=O)C1.
What is the InChIKey of 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The InChIKey is JLVRHRAYLYDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-3-10-6-7-12(13)11(9-10)5-4-8-16(2,14)15/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol has a molecular weight of 248.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 63196200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).