cyclohexyl-(4-hydroxyphenyl)-methylsulfanium

C13H19OS+ — CID 58085534

IUPACcyclohexyl-(4-hydroxyphenyl)-methylsulfanium
SMILESC[S+](c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C13H18OS/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h7-10,12H,2-6H2,1H3/p+1
InChIKeyQDGZMPXEJUMWEA-UHFFFAOYSA-O
MW223.36 g/mol
LogP3.33
Rot. Bonds2

About cyclohexyl-(4-hydroxyphenyl)-methylsulfanium

cyclohexyl-(4-hydroxyphenyl)-methylsulfanium (PubChem CID 58085534) has the molecular formula C13H19OS+ and a molecular weight of 223.36 g/mol. Its IUPAC name is cyclohexyl-(4-hydroxyphenyl)-methylsulfanium.

Molecular Properties

Compound Namecyclohexyl-(4-hydroxyphenyl)-methylsulfanium
PubChem CID58085534
Molecular FormulaC13H19OS+
Molecular Weight223.36 g/mol
Exact Mass223.12
IUPAC Namecyclohexyl-(4-hydroxyphenyl)-methylsulfanium
SMILESC[S+](c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C13H18OS/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h7-10,12H,2-6H2,1H3/p+1
InChIKeyQDGZMPXEJUMWEA-UHFFFAOYSA-O
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze cyclohexyl-(4-hydroxyphenyl)-methylsulfanium 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 cyclohexyl-(4-hydroxyphenyl)-methylsulfanium?
The IUPAC name of cyclohexyl-(4-hydroxyphenyl)-methylsulfanium (CID 58085534) is cyclohexyl-(4-hydroxyphenyl)-methylsulfanium.
What is the SMILES notation for cyclohexyl-(4-hydroxyphenyl)-methylsulfanium?
The canonical SMILES for cyclohexyl-(4-hydroxyphenyl)-methylsulfanium is C[S+](c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4-hydroxyphenyl)-methylsulfanium?
The InChIKey is QDGZMPXEJUMWEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18OS/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h7-10,12H,2-6H2,1H3/p+1.
What are the key properties of cyclohexyl-(4-hydroxyphenyl)-methylsulfanium?
cyclohexyl-(4-hydroxyphenyl)-methylsulfanium has a molecular weight of 223.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-hydroxyphenyl)-methylsulfanium is sourced from PubChem (CID 58085534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).