2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride

C11H15ClO3S — CID 84710908

IUPAC2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
SMILESCOc1c(C)ccc(C)c1CCS(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-8-4-5-9(2)11(15-3)10(8)6-7-16(12,13)14/h4-5H,6-7H2,1-3H3
InChIKeyRDBWLWQJWBSUFD-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.42
Rot. Bonds4

About 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride

2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride (PubChem CID 84710908) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
PubChem CID84710908
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
SMILESCOc1c(C)ccc(C)c1CCS(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-8-4-5-9(2)11(15-3)10(8)6-7-16(12,13)14/h4-5H,6-7H2,1-3H3
InChIKeyRDBWLWQJWBSUFD-UHFFFAOYSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88555
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4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
CID 562787
6-(4-Methoxyphenyl)-1,2lambda6-benzoxathiine 2,2-dioxide
CID 118729379
2-Methoxy-1,3,4-trimethylbenzene
CID 591604
2-Methoxy-6-(2-methylsulfonylethyl)naphthalene
CID 155548487
1-Methoxy-2,4,5-trimethylbenzene
CID 13696360
(3-Methoxyphenyl)methanesulfonyl chloride
CID 23211153
8-(4-methoxyphenyl)-3H-1,2lambda6-benzoxathiepine 2,2-dioxide
CID 168279456
7-(4-methoxyphenyl)-3H-1,2lambda6-benzoxathiepine 2,2-dioxide
CID 168294137
9-(4-methoxyphenyl)-3H-1,2lambda6-benzoxathiepine 2,2-dioxide
CID 168296443
2-(2-Methoxyphenyl)ethane-1-sulfonyl chloride
CID 24257283

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride (CID 84710908) is 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride is COc1c(C)ccc(C)c1CCS(=O)(=O)Cl.
What is the InChIKey of 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride?
The InChIKey is RDBWLWQJWBSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-8-4-5-9(2)11(15-3)10(8)6-7-16(12,13)14/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride?
2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84710908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).