5-methylsulfonyl-2-phenylphenol

C13H12O3S — CID 170991477

IUPAC5-methylsulfonyl-2-phenylphenol
SMILESCS(=O)(=O)c1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H12O3S/c1-17(15,16)11-7-8-12(13(14)9-11)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyCJSCYOMEFHEFCO-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.46
Rot. Bonds2

About 5-methylsulfonyl-2-phenylphenol

5-methylsulfonyl-2-phenylphenol (PubChem CID 170991477) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-methylsulfonyl-2-phenylphenol.

Molecular Properties

Compound Name5-methylsulfonyl-2-phenylphenol
PubChem CID170991477
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name5-methylsulfonyl-2-phenylphenol
SMILESCS(=O)(=O)c1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H12O3S/c1-17(15,16)11-7-8-12(13(14)9-11)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyCJSCYOMEFHEFCO-UHFFFAOYSA-N
XLogP2.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-phenylphenol?
The IUPAC name of 5-methylsulfonyl-2-phenylphenol (CID 170991477) is 5-methylsulfonyl-2-phenylphenol.
What is the SMILES notation for 5-methylsulfonyl-2-phenylphenol?
The canonical SMILES for 5-methylsulfonyl-2-phenylphenol is CS(=O)(=O)c1ccc(-c2ccccc2)c(O)c1.
What is the InChIKey of 5-methylsulfonyl-2-phenylphenol?
The InChIKey is CJSCYOMEFHEFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-17(15,16)11-7-8-12(13(14)9-11)10-5-3-2-4-6-10/h2-9,14H,1H3.
What are the key properties of 5-methylsulfonyl-2-phenylphenol?
5-methylsulfonyl-2-phenylphenol has a molecular weight of 248.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-phenylphenol is sourced from PubChem (CID 170991477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).