(1R)-1-(4-methylsulfonylcyclohexyl)ethanol

C9H18O3S — CID 166828331

IUPAC(1R)-1-(4-methylsulfonylcyclohexyl)ethanol
SMILESC[C@@H](O)C1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h7-10H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyOFVXMRHQNDAJSQ-AFPNSQJFSA-N
MW206.31 g/mol
LogP0.97
Rot. Bonds2

About (1R)-1-(4-methylsulfonylcyclohexyl)ethanol

(1R)-1-(4-methylsulfonylcyclohexyl)ethanol (PubChem CID 166828331) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (1R)-1-(4-methylsulfonylcyclohexyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methylsulfonylcyclohexyl)ethanol
PubChem CID166828331
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(1R)-1-(4-methylsulfonylcyclohexyl)ethanol
SMILESC[C@@H](O)C1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h7-10H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyOFVXMRHQNDAJSQ-AFPNSQJFSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-methylsulfonylcyclohexyl)ethanol 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 (1R)-1-(4-methylsulfonylcyclohexyl)ethanol?
The IUPAC name of (1R)-1-(4-methylsulfonylcyclohexyl)ethanol (CID 166828331) is (1R)-1-(4-methylsulfonylcyclohexyl)ethanol.
What is the SMILES notation for (1R)-1-(4-methylsulfonylcyclohexyl)ethanol?
The canonical SMILES for (1R)-1-(4-methylsulfonylcyclohexyl)ethanol is C[C@@H](O)C1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of (1R)-1-(4-methylsulfonylcyclohexyl)ethanol?
The InChIKey is OFVXMRHQNDAJSQ-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H18O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h7-10H,3-6H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (1R)-1-(4-methylsulfonylcyclohexyl)ethanol?
(1R)-1-(4-methylsulfonylcyclohexyl)ethanol has a molecular weight of 206.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylsulfonylcyclohexyl)ethanol is sourced from PubChem (CID 166828331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).