2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride

C11H15ClO4S — CID 84811476

IUPAC2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
SMILESCOc1c(C)cc(CCS(=O)(=O)Cl)c(O)c1C
InChIInChI=1S/C11H15ClO4S/c1-7-6-9(4-5-17(12,14)15)10(13)8(2)11(7)16-3/h6,13H,4-5H2,1-3H3
InChIKeyPZLRYNQLWAYPMO-UHFFFAOYSA-N
MW278.76 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride

2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride (PubChem CID 84811476) has the molecular formula C11H15ClO4S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
PubChem CID84811476
Molecular FormulaC11H15ClO4S
Molecular Weight278.76 g/mol
Exact Mass278.04
IUPAC Name2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
SMILESCOc1c(C)cc(CCS(=O)(=O)Cl)c(O)c1C
InChIInChI=1S/C11H15ClO4S/c1-7-6-9(4-5-17(12,14)15)10(13)8(2)11(7)16-3/h6,13H,4-5H2,1-3H3
InChIKeyPZLRYNQLWAYPMO-UHFFFAOYSA-N
XLogP2.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
CID 84710908
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
2-(2-methoxy-4-methylphenyl)ethanesulfonyl chloride
CID 83726090
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
methyl 4-(2-chlorosulfonylethyl)-3-methylbenzoate
CID 86672795
2-(5-chloro-2,4-dimethylphenyl)ethanesulfonyl chloride
CID 84808045
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride (CID 84811476) is 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride is COc1c(C)cc(CCS(=O)(=O)Cl)c(O)c1C.
What is the InChIKey of 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride?
The InChIKey is PZLRYNQLWAYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S/c1-7-6-9(4-5-17(12,14)15)10(13)8(2)11(7)16-3/h6,13H,4-5H2,1-3H3.
What are the key properties of 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride?
2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride has a molecular weight of 278.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84811476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).