(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride

C10H13ClO4S — CID 117416230

IUPAC(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
SMILESCOc1cc(C)c(CS(=O)(=O)Cl)c(O)c1C
InChIInChI=1S/C10H13ClO4S/c1-6-4-9(15-3)7(2)10(12)8(6)5-16(11,13)14/h4,12H,5H2,1-3H3
InChIKeyJQPMJYBQEDYJRW-UHFFFAOYSA-N
MW264.73 g/mol
LogP2.09
Rot. Bonds3

About (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride

(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride (PubChem CID 117416230) has the molecular formula C10H13ClO4S and a molecular weight of 264.73 g/mol. Its IUPAC name is (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
PubChem CID117416230
Molecular FormulaC10H13ClO4S
Molecular Weight264.73 g/mol
Exact Mass264.02
IUPAC Name(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
SMILESCOc1cc(C)c(CS(=O)(=O)Cl)c(O)c1C
InChIInChI=1S/C10H13ClO4S/c1-6-4-9(15-3)7(2)10(12)8(6)5-16(11,13)14/h4,12H,5H2,1-3H3
InChIKeyJQPMJYBQEDYJRW-UHFFFAOYSA-N
XLogP2.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride (CID 117416230) is (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride is COc1cc(C)c(CS(=O)(=O)Cl)c(O)c1C.
What is the InChIKey of (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is JQPMJYBQEDYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4S/c1-6-4-9(15-3)7(2)10(12)8(6)5-16(11,13)14/h4,12H,5H2,1-3H3.
What are the key properties of (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride?
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117416230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).