5-bromo-2-(methylsulfonylmethyl)phenol

C8H9BrO3S — CID 117219435

IUPAC5-bromo-2-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccc(Br)cc1O
InChIInChI=1S/C8H9BrO3S/c1-13(11,12)5-6-2-3-7(9)4-8(6)10/h2-4,10H,5H2,1H3
InChIKeyCCUIXWREKYJEFG-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.70
Rot. Bonds2

About 5-bromo-2-(methylsulfonylmethyl)phenol

5-bromo-2-(methylsulfonylmethyl)phenol (PubChem CID 117219435) has the molecular formula C8H9BrO3S and a molecular weight of 265.13 g/mol. Its IUPAC name is 5-bromo-2-(methylsulfonylmethyl)phenol.

Molecular Properties

Compound Name5-bromo-2-(methylsulfonylmethyl)phenol
PubChem CID117219435
Molecular FormulaC8H9BrO3S
Molecular Weight265.13 g/mol
Exact Mass263.95
IUPAC Name5-bromo-2-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccc(Br)cc1O
InChIInChI=1S/C8H9BrO3S/c1-13(11,12)5-6-2-3-7(9)4-8(6)10/h2-4,10H,5H2,1H3
InChIKeyCCUIXWREKYJEFG-UHFFFAOYSA-N
XLogP1.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(methylsulfonylmethyl)aniline
CID 58656521
[5-bromo-2-(methylsulfonylmethyl)phenyl]methanamine
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5-bromo-2-(methylsulfonylmethyl)benzonitrile
CID 130559972
4-bromo-1-(methylsulfonylmethyl)-2-(trifluoromethyl)benzene
CID 117219409
(2,4-dibromophenyl)methanesulfonamide
CID 107944156
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
4-bromo-1-ethyl-2-methylsulfonylbenzene
CID 123635045
5-bromo-1-ethyl-3-(methylsulfonylmethyl)indole
CID 117175523
2-(3-aminobutyl)-5-bromophenol
CID 130001244
(5-bromo-2-fluorophenyl)methanesulfonamide
CID 61064236
1-(4-bromo-2-fluorophenyl)-3-methyl-3-methylsulfonylbutan-2-one
CID 114968442
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylsulfonylmethyl)phenol?
The IUPAC name of 5-bromo-2-(methylsulfonylmethyl)phenol (CID 117219435) is 5-bromo-2-(methylsulfonylmethyl)phenol.
What is the SMILES notation for 5-bromo-2-(methylsulfonylmethyl)phenol?
The canonical SMILES for 5-bromo-2-(methylsulfonylmethyl)phenol is CS(=O)(=O)Cc1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-(methylsulfonylmethyl)phenol?
The InChIKey is CCUIXWREKYJEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3S/c1-13(11,12)5-6-2-3-7(9)4-8(6)10/h2-4,10H,5H2,1H3.
What are the key properties of 5-bromo-2-(methylsulfonylmethyl)phenol?
5-bromo-2-(methylsulfonylmethyl)phenol has a molecular weight of 265.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylsulfonylmethyl)phenol is sourced from PubChem (CID 117219435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).