2-methyl-4-(methylsulfonylmethyl)phenol

C9H12O3S — CID 117220099

IUPAC2-methyl-4-(methylsulfonylmethyl)phenol
SMILESCc1cc(CS(C)(=O)=O)ccc1O
InChIInChI=1S/C9H12O3S/c1-7-5-8(3-4-9(7)10)6-13(2,11)12/h3-5,10H,6H2,1-2H3
InChIKeyWAJNVNQQNBZQKD-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.25
Rot. Bonds2

About 2-methyl-4-(methylsulfonylmethyl)phenol

2-methyl-4-(methylsulfonylmethyl)phenol (PubChem CID 117220099) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methyl-4-(methylsulfonylmethyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(methylsulfonylmethyl)phenol
PubChem CID117220099
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-methyl-4-(methylsulfonylmethyl)phenol
SMILESCc1cc(CS(C)(=O)=O)ccc1O
InChIInChI=1S/C9H12O3S/c1-7-5-8(3-4-9(7)10)6-13(2,11)12/h3-5,10H,6H2,1-2H3
InChIKeyWAJNVNQQNBZQKD-UHFFFAOYSA-N
XLogP1.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
1,2-dimethyl-4-(methylsulfonylmethyl)benzene
CID 89331302
2-amino-4-(methylsulfonylmethyl)phenol
CID 117221684
2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
CID 160647577
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol
CID 170509759
4-butyl-2-methylphenol
CID 10964856
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-(aminooxymethyl)-2-methylphenol
CID 117276023
2-methyl-4-(3-methylsulfonylpropoxy)phenol
CID 70926847
butane;(4-hydroxy-3-methylphenyl)methylphosphonic acid
CID 174758870
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylsulfonylmethyl)phenol?
The IUPAC name of 2-methyl-4-(methylsulfonylmethyl)phenol (CID 117220099) is 2-methyl-4-(methylsulfonylmethyl)phenol.
What is the SMILES notation for 2-methyl-4-(methylsulfonylmethyl)phenol?
The canonical SMILES for 2-methyl-4-(methylsulfonylmethyl)phenol is Cc1cc(CS(C)(=O)=O)ccc1O.
What is the InChIKey of 2-methyl-4-(methylsulfonylmethyl)phenol?
The InChIKey is WAJNVNQQNBZQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-7-5-8(3-4-9(7)10)6-13(2,11)12/h3-5,10H,6H2,1-2H3.
What are the key properties of 2-methyl-4-(methylsulfonylmethyl)phenol?
2-methyl-4-(methylsulfonylmethyl)phenol has a molecular weight of 200.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylsulfonylmethyl)phenol is sourced from PubChem (CID 117220099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).