3-methyl-4-(4-methylphenyl)sulfonylphenol

C14H14O3S — CID 10149277

IUPAC3-methyl-4-(4-methylphenyl)sulfonylphenol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)cc2C)cc1
InChIInChI=1S/C14H14O3S/c1-10-3-6-13(7-4-10)18(16,17)14-8-5-12(15)9-11(14)2/h3-9,15H,1-2H3
InChIKeyUSQMMMUEBDCOIL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.84
Rot. Bonds2

About 3-methyl-4-(4-methylphenyl)sulfonylphenol

3-methyl-4-(4-methylphenyl)sulfonylphenol (PubChem CID 10149277) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)sulfonylphenol.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)sulfonylphenol
PubChem CID10149277
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3-methyl-4-(4-methylphenyl)sulfonylphenol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)cc2C)cc1
InChIInChI=1S/C14H14O3S/c1-10-3-6-13(7-4-10)18(16,17)14-8-5-12(15)9-11(14)2/h3-9,15H,1-2H3
InChIKeyUSQMMMUEBDCOIL-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)sulfonylphenol?
The IUPAC name of 3-methyl-4-(4-methylphenyl)sulfonylphenol (CID 10149277) is 3-methyl-4-(4-methylphenyl)sulfonylphenol.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)sulfonylphenol?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)sulfonylphenol is Cc1ccc(S(=O)(=O)c2ccc(O)cc2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)sulfonylphenol?
The InChIKey is USQMMMUEBDCOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-10-3-6-13(7-4-10)18(16,17)14-8-5-12(15)9-11(14)2/h3-9,15H,1-2H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)sulfonylphenol?
3-methyl-4-(4-methylphenyl)sulfonylphenol has a molecular weight of 262.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)sulfonylphenol is sourced from PubChem (CID 10149277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).