[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride

C16H23ClO3S — CID 65006888

IUPAC[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
SMILESCc1ccc(OCC2(CS(=O)(=O)Cl)CCCCC2)c(C)c1
InChIInChI=1S/C16H23ClO3S/c1-13-6-7-15(14(2)10-13)20-11-16(12-21(17,18)19)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11-12H2,1-2H3
InChIKeyAYLWMUWDAUCTBO-UHFFFAOYSA-N
MW330.88 g/mol
LogP4.20
Rot. Bonds5

About [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride

[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride (PubChem CID 65006888) has the molecular formula C16H23ClO3S and a molecular weight of 330.88 g/mol. Its IUPAC name is [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
PubChem CID65006888
Molecular FormulaC16H23ClO3S
Molecular Weight330.88 g/mol
Exact Mass330.11
IUPAC Name[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
SMILESCc1ccc(OCC2(CS(=O)(=O)Cl)CCCCC2)c(C)c1
InChIInChI=1S/C16H23ClO3S/c1-13-6-7-15(14(2)10-13)20-11-16(12-21(17,18)19)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11-12H2,1-2H3
InChIKeyAYLWMUWDAUCTBO-UHFFFAOYSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 107286836
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
[4-[(2-chloro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004623
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002702
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65001575

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride (CID 65006888) is [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride is Cc1ccc(OCC2(CS(=O)(=O)Cl)CCCCC2)c(C)c1.
What is the InChIKey of [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
The InChIKey is AYLWMUWDAUCTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3S/c1-13-6-7-15(14(2)10-13)20-11-16(12-21(17,18)19)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride?
[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride has a molecular weight of 330.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 65006888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).