(2-methoxy-6-methylphenyl)methanesulfonyl chloride

C9H11ClO3S — CID 84698165

IUPAC(2-methoxy-6-methylphenyl)methanesulfonyl chloride
SMILESCOc1cccc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO3S/c1-7-4-3-5-9(13-2)8(7)6-14(10,11)12/h3-5H,6H2,1-2H3
InChIKeyXCNNFEYHZSQCNJ-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.07
Rot. Bonds3

About (2-methoxy-6-methylphenyl)methanesulfonyl chloride

(2-methoxy-6-methylphenyl)methanesulfonyl chloride (PubChem CID 84698165) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is (2-methoxy-6-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methoxy-6-methylphenyl)methanesulfonyl chloride
PubChem CID84698165
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name(2-methoxy-6-methylphenyl)methanesulfonyl chloride
SMILESCOc1cccc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO3S/c1-7-4-3-5-9(13-2)8(7)6-14(10,11)12/h3-5H,6H2,1-2H3
InChIKeyXCNNFEYHZSQCNJ-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
[2-(difluoromethyl)-6-methoxyphenyl]methanesulfonyl chloride
CID 117429504
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481130
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
CID 117446964

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-methoxy-6-methylphenyl)methanesulfonyl chloride (CID 84698165) is (2-methoxy-6-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-methoxy-6-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-methoxy-6-methylphenyl)methanesulfonyl chloride is COc1cccc(C)c1CS(=O)(=O)Cl.
What is the InChIKey of (2-methoxy-6-methylphenyl)methanesulfonyl chloride?
The InChIKey is XCNNFEYHZSQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-7-4-3-5-9(13-2)8(7)6-14(10,11)12/h3-5H,6H2,1-2H3.
What are the key properties of (2-methoxy-6-methylphenyl)methanesulfonyl chloride?
(2-methoxy-6-methylphenyl)methanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84698165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).