2-methyl-4-methylsulfonylphenol

C8H10O3S — CID 12619667

IUPAC2-methyl-4-methylsulfonylphenol
SMILESCc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C8H10O3S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5,9H,1-2H3
InChIKeyJVHYYNCSPAFJMI-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-4-methylsulfonylphenol

2-methyl-4-methylsulfonylphenol (PubChem CID 12619667) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonylphenol.

Molecular Properties

Compound Name2-methyl-4-methylsulfonylphenol
PubChem CID12619667
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name2-methyl-4-methylsulfonylphenol
SMILESCc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C8H10O3S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5,9H,1-2H3
InChIKeyJVHYYNCSPAFJMI-UHFFFAOYSA-N
XLogP1.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Diallyl-4,4'-sulfonyldiphenol
CID 833466
3-Methyl-4-(methylthio)phenol
CID 18391
Mesurol phenol sulfone
CID 203615
4-(Methylsulfonyl)phenol
CID 123350
((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile
CID 220928
4,4'-Thiodi-o-cresol
CID 618879
4-(4-Hydroxy-3-isopropylphenylthio)-2-isopropylphenol
CID 448797
3-Methyl-4-(methylsulfonyl)phenol
CID 167048
4-(Methylsulfinyl)phenol
CID 151936
4,4'-Sulfonylbis(2-methylphenol)
CID 257513
Phenol, 4,4'-sulfonylbis[2,6-dimethyl-
CID 83310
Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-
CID 89090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonylphenol?
The IUPAC name of 2-methyl-4-methylsulfonylphenol (CID 12619667) is 2-methyl-4-methylsulfonylphenol.
What is the SMILES notation for 2-methyl-4-methylsulfonylphenol?
The canonical SMILES for 2-methyl-4-methylsulfonylphenol is Cc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of 2-methyl-4-methylsulfonylphenol?
The InChIKey is JVHYYNCSPAFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5,9H,1-2H3.
What are the key properties of 2-methyl-4-methylsulfonylphenol?
2-methyl-4-methylsulfonylphenol has a molecular weight of 186.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonylphenol is sourced from PubChem (CID 12619667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).