1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride

C11H15ClO3S — CID 116866342

IUPAC1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride
SMILESCOc1cc(C)cc(C)c1C(C)S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-7-5-8(2)11(10(6-7)15-4)9(3)16(12,13)14/h5-6,9H,1-4H3
InChIKeyXZPITWVOZUHUJS-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride

1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride (PubChem CID 116866342) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride
PubChem CID116866342
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride
SMILESCOc1cc(C)cc(C)c1C(C)S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-7-5-8(2)11(10(6-7)15-4)9(3)16(12,13)14/h5-6,9H,1-4H3
InChIKeyXZPITWVOZUHUJS-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 106682260
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 110759544
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
2-chloro-3-methoxy-5-methylbenzenesulfonyl chloride
CID 84708500

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride (CID 116866342) is 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride is COc1cc(C)cc(C)c1C(C)S(=O)(=O)Cl.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride?
The InChIKey is XZPITWVOZUHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-7-5-8(2)11(10(6-7)15-4)9(3)16(12,13)14/h5-6,9H,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride?
1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 116866342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).