5-bromo-2-methylsulfinyl-3-phenylphenol

C13H11BrO2S — CID 170780946

IUPAC5-bromo-2-methylsulfinyl-3-phenylphenol
SMILESCS(=O)c1c(O)cc(Br)cc1-c1ccccc1
InChIInChI=1S/C13H11BrO2S/c1-17(16)13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyVAESKKVUPCRNCP-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-2-methylsulfinyl-3-phenylphenol

5-bromo-2-methylsulfinyl-3-phenylphenol (PubChem CID 170780946) has the molecular formula C13H11BrO2S and a molecular weight of 311.20 g/mol. Its IUPAC name is 5-bromo-2-methylsulfinyl-3-phenylphenol.

Molecular Properties

Compound Name5-bromo-2-methylsulfinyl-3-phenylphenol
PubChem CID170780946
Molecular FormulaC13H11BrO2S
Molecular Weight311.20 g/mol
Exact Mass309.97
IUPAC Name5-bromo-2-methylsulfinyl-3-phenylphenol
SMILESCS(=O)c1c(O)cc(Br)cc1-c1ccccc1
InChIInChI=1S/C13H11BrO2S/c1-17(16)13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyVAESKKVUPCRNCP-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfinyl-3-phenylphenol?
The IUPAC name of 5-bromo-2-methylsulfinyl-3-phenylphenol (CID 170780946) is 5-bromo-2-methylsulfinyl-3-phenylphenol.
What is the SMILES notation for 5-bromo-2-methylsulfinyl-3-phenylphenol?
The canonical SMILES for 5-bromo-2-methylsulfinyl-3-phenylphenol is CS(=O)c1c(O)cc(Br)cc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-methylsulfinyl-3-phenylphenol?
The InChIKey is VAESKKVUPCRNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2S/c1-17(16)13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-8,15H,1H3.
What are the key properties of 5-bromo-2-methylsulfinyl-3-phenylphenol?
5-bromo-2-methylsulfinyl-3-phenylphenol has a molecular weight of 311.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfinyl-3-phenylphenol is sourced from PubChem (CID 170780946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).