2-chloro-4-methyl-6-methylsulfonylphenol

C8H9ClO3S — CID 70940250

IUPAC2-chloro-4-methyl-6-methylsulfonylphenol
SMILESCc1cc(Cl)c(O)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H9ClO3S/c1-5-3-6(9)8(10)7(4-5)13(2,11)12/h3-4,10H,1-2H3
InChIKeyNAPIVUMQUKURCU-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.76
Rot. Bonds1

About 2-chloro-4-methyl-6-methylsulfonylphenol

2-chloro-4-methyl-6-methylsulfonylphenol (PubChem CID 70940250) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-methylsulfonylphenol.

Molecular Properties

Compound Name2-chloro-4-methyl-6-methylsulfonylphenol
PubChem CID70940250
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name2-chloro-4-methyl-6-methylsulfonylphenol
SMILESCc1cc(Cl)c(O)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H9ClO3S/c1-5-3-6(9)8(10)7(4-5)13(2,11)12/h3-4,10H,1-2H3
InChIKeyNAPIVUMQUKURCU-UHFFFAOYSA-N
XLogP1.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-methylsulfonylphenol?
The IUPAC name of 2-chloro-4-methyl-6-methylsulfonylphenol (CID 70940250) is 2-chloro-4-methyl-6-methylsulfonylphenol.
What is the SMILES notation for 2-chloro-4-methyl-6-methylsulfonylphenol?
The canonical SMILES for 2-chloro-4-methyl-6-methylsulfonylphenol is Cc1cc(Cl)c(O)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-chloro-4-methyl-6-methylsulfonylphenol?
The InChIKey is NAPIVUMQUKURCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-5-3-6(9)8(10)7(4-5)13(2,11)12/h3-4,10H,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-methylsulfonylphenol?
2-chloro-4-methyl-6-methylsulfonylphenol has a molecular weight of 220.68 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-methylsulfonylphenol is sourced from PubChem (CID 70940250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).