2-bromo-5-(3-methylsulfonylphenyl)phenol

C13H11BrO3S — CID 171383332

IUPAC2-bromo-5-(3-methylsulfonylphenyl)phenol
SMILESCS(=O)(=O)c1cccc(-c2ccc(Br)c(O)c2)c1
InChIInChI=1S/C13H11BrO3S/c1-18(16,17)11-4-2-3-9(7-11)10-5-6-12(14)13(15)8-10/h2-8,15H,1H3
InChIKeyTWMSTNAMXCSAMB-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.23
Rot. Bonds2

About 2-bromo-5-(3-methylsulfonylphenyl)phenol

2-bromo-5-(3-methylsulfonylphenyl)phenol (PubChem CID 171383332) has the molecular formula C13H11BrO3S and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-bromo-5-(3-methylsulfonylphenyl)phenol.

Molecular Properties

Compound Name2-bromo-5-(3-methylsulfonylphenyl)phenol
PubChem CID171383332
Molecular FormulaC13H11BrO3S
Molecular Weight327.20 g/mol
Exact Mass325.96
IUPAC Name2-bromo-5-(3-methylsulfonylphenyl)phenol
SMILESCS(=O)(=O)c1cccc(-c2ccc(Br)c(O)c2)c1
InChIInChI=1S/C13H11BrO3S/c1-18(16,17)11-4-2-3-9(7-11)10-5-6-12(14)13(15)8-10/h2-8,15H,1H3
InChIKeyTWMSTNAMXCSAMB-UHFFFAOYSA-N
XLogP3.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-(3-methylsulfonylphenyl)benzonitrile
CID 53220172
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
3-bromo-4-methyl-5-(3-methylsulfonylphenyl)pyridine
CID 170459888
4-bromo-2-(3-methylsulfonylphenyl)thiophene
CID 68877839
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
2-bromo-5-methyl-3-(3-methylsulfonylphenyl)pyridine
CID 22058358
2-bromo-5-(3-methylsulfonylphenyl)-1,3,4-thiadiazole
CID 63383604
5-methylsulfonyl-2-phenylphenol
CID 170991477
4-(3-methylsulfonylphenyl)pyridine-2-carboxylic acid
CID 53224214
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methylsulfonylphenyl)phenol?
The IUPAC name of 2-bromo-5-(3-methylsulfonylphenyl)phenol (CID 171383332) is 2-bromo-5-(3-methylsulfonylphenyl)phenol.
What is the SMILES notation for 2-bromo-5-(3-methylsulfonylphenyl)phenol?
The canonical SMILES for 2-bromo-5-(3-methylsulfonylphenyl)phenol is CS(=O)(=O)c1cccc(-c2ccc(Br)c(O)c2)c1.
What is the InChIKey of 2-bromo-5-(3-methylsulfonylphenyl)phenol?
The InChIKey is TWMSTNAMXCSAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3S/c1-18(16,17)11-4-2-3-9(7-11)10-5-6-12(14)13(15)8-10/h2-8,15H,1H3.
What are the key properties of 2-bromo-5-(3-methylsulfonylphenyl)phenol?
2-bromo-5-(3-methylsulfonylphenyl)phenol has a molecular weight of 327.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methylsulfonylphenyl)phenol is sourced from PubChem (CID 171383332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).