3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol

C13H26O3S — CID 65425290

IUPAC3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol
SMILESCC(C)C1CCC(C(O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H26O3S/c1-10(2)11-4-6-12(7-5-11)13(14)8-9-17(3,15)16/h10-14H,4-9H2,1-3H3
InChIKeyDKZHPPNKZPMURK-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.24
Rot. Bonds5

About 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol

3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol (PubChem CID 65425290) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol
PubChem CID65425290
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol
SMILESCC(C)C1CCC(C(O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H26O3S/c1-10(2)11-4-6-12(7-5-11)13(14)8-9-17(3,15)16/h10-14H,4-9H2,1-3H3
InChIKeyDKZHPPNKZPMURK-UHFFFAOYSA-N
XLogP2.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-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 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol (CID 65425290) is 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol is CC(C)C1CCC(C(O)CCS(C)(=O)=O)CC1.
What is the InChIKey of 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol?
The InChIKey is DKZHPPNKZPMURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-10(2)11-4-6-12(7-5-11)13(14)8-9-17(3,15)16/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol?
3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol is sourced from PubChem (CID 65425290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).