4-(cyclohexylmethoxy)benzenesulfinyl chloride

C13H17ClO2S — CID 138665200

IUPAC4-(cyclohexylmethoxy)benzenesulfinyl chloride
SMILESO=S(Cl)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C13H17ClO2S/c14-17(15)13-8-6-12(7-9-13)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeySPHSKRNBAXRDLZ-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.91
Rot. Bonds4

About 4-(cyclohexylmethoxy)benzenesulfinyl chloride

4-(cyclohexylmethoxy)benzenesulfinyl chloride (PubChem CID 138665200) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)benzenesulfinyl chloride.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)benzenesulfinyl chloride
PubChem CID138665200
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name4-(cyclohexylmethoxy)benzenesulfinyl chloride
SMILESO=S(Cl)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C13H17ClO2S/c14-17(15)13-8-6-12(7-9-13)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeySPHSKRNBAXRDLZ-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexylmethoxy)benzenesulfinyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexylmethoxybenzene
CID 14399287
4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium
CID 59524606
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
4-(cyclobutylmethoxy)benzenethiol
CID 97179596
1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)benzenesulfinyl chloride?
The IUPAC name of 4-(cyclohexylmethoxy)benzenesulfinyl chloride (CID 138665200) is 4-(cyclohexylmethoxy)benzenesulfinyl chloride.
What is the SMILES notation for 4-(cyclohexylmethoxy)benzenesulfinyl chloride?
The canonical SMILES for 4-(cyclohexylmethoxy)benzenesulfinyl chloride is O=S(Cl)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethoxy)benzenesulfinyl chloride?
The InChIKey is SPHSKRNBAXRDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S/c14-17(15)13-8-6-12(7-9-13)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 4-(cyclohexylmethoxy)benzenesulfinyl chloride?
4-(cyclohexylmethoxy)benzenesulfinyl chloride has a molecular weight of 272.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)benzenesulfinyl chloride is sourced from PubChem (CID 138665200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).