(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride

C9H11ClO4S — CID 117380100

IUPAC(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1ccc(C)c(O)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S/c1-6-3-4-8(14-2)7(9(6)11)5-15(10,12)13/h3-4,11H,5H2,1-2H3
InChIKeyWMAMIYMUIPWENH-UHFFFAOYSA-N
MW250.70 g/mol
LogP1.78
Rot. Bonds3

About (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride

(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 117380100) has the molecular formula C9H11ClO4S and a molecular weight of 250.70 g/mol. Its IUPAC name is (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID117380100
Molecular FormulaC9H11ClO4S
Molecular Weight250.70 g/mol
Exact Mass250.01
IUPAC Name(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1ccc(C)c(O)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S/c1-6-3-4-8(14-2)7(9(6)11)5-15(10,12)13/h3-4,11H,5H2,1-2H3
InChIKeyWMAMIYMUIPWENH-UHFFFAOYSA-N
XLogP1.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
2-(2-amino-2-methylpropyl)-3-methoxy-6-methylphenol
CID 117299270
(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride
CID 84710860
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride (CID 117380100) is (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride is COc1ccc(C)c(O)c1CS(=O)(=O)Cl.
What is the InChIKey of (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is WMAMIYMUIPWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S/c1-6-3-4-8(14-2)7(9(6)11)5-15(10,12)13/h3-4,11H,5H2,1-2H3.
What are the key properties of (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 250.70 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117380100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).