2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol

C14H20O3S — CID 106585473

IUPAC2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
SMILESCc1ccc(S(=O)(=O)C2CCCCC2O)c(C)c1
InChIInChI=1S/C14H20O3S/c1-10-7-8-13(11(2)9-10)18(16,17)14-6-4-3-5-12(14)15/h7-9,12,14-15H,3-6H2,1-2H3
InChIKeyZFJSXRDAUSUXTE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.38
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol

2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol (PubChem CID 106585473) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
PubChem CID106585473
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
SMILESCc1ccc(S(=O)(=O)C2CCCCC2O)c(C)c1
InChIInChI=1S/C14H20O3S/c1-10-7-8-13(11(2)9-10)18(16,17)14-6-4-3-5-12(14)15/h7-9,12,14-15H,3-6H2,1-2H3
InChIKeyZFJSXRDAUSUXTE-UHFFFAOYSA-N
XLogP2.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenyl)sulfonylcyclohexan-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 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol (CID 106585473) is 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol is Cc1ccc(S(=O)(=O)C2CCCCC2O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol?
The InChIKey is ZFJSXRDAUSUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-10-7-8-13(11(2)9-10)18(16,17)14-6-4-3-5-12(14)15/h7-9,12,14-15H,3-6H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol?
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol is sourced from PubChem (CID 106585473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).