1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol

C15H21IOS — CID 65479114

IUPAC1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
SMILESOC(CSC1CCCCC1)Cc1ccc(I)cc1
InChIInChI=1S/C15H21IOS/c16-13-8-6-12(7-9-13)10-14(17)11-18-15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-11H2
InChIKeyWBGFFCLFOCJTKF-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.26
Rot. Bonds5

About 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol

1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol (PubChem CID 65479114) has the molecular formula C15H21IOS and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
PubChem CID65479114
Molecular FormulaC15H21IOS
Molecular Weight376.30 g/mol
Exact Mass376.04
IUPAC Name1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
SMILESOC(CSC1CCCCC1)Cc1ccc(I)cc1
InChIInChI=1S/C15H21IOS/c16-13-8-6-12(7-9-13)10-14(17)11-18-15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-11H2
InChIKeyWBGFFCLFOCJTKF-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol?
The IUPAC name of 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol (CID 65479114) is 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol is OC(CSC1CCCCC1)Cc1ccc(I)cc1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol?
The InChIKey is WBGFFCLFOCJTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IOS/c16-13-8-6-12(7-9-13)10-14(17)11-18-15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-11H2.
What are the key properties of 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol?
1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol has a molecular weight of 376.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol is sourced from PubChem (CID 65479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).