3-(3-methylphenyl)sulfonylphenol

C13H12O3S — CID 134285490

IUPAC3-(3-methylphenyl)sulfonylphenol
SMILESCc1cccc(S(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C13H12O3S/c1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13/h2-9,14H,1H3
InChIKeyXKGRQSGJGWPDQV-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.53
Rot. Bonds2

About 3-(3-methylphenyl)sulfonylphenol

3-(3-methylphenyl)sulfonylphenol (PubChem CID 134285490) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonylphenol.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonylphenol
PubChem CID134285490
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name3-(3-methylphenyl)sulfonylphenol
SMILESCc1cccc(S(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C13H12O3S/c1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13/h2-9,14H,1H3
InChIKeyXKGRQSGJGWPDQV-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)sulfonylphenol
CID 19739466
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
CID 101301580
3-methylphenol;sulfuric acid
CID 70180616
5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
CID 101301651
3-methylphenol
CID 67925627
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
sodium 3-methylphenol
CID 21278687
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
1-[3-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene;1-[4-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene
CID 162084371
carbanide;3-methylphenol;yttrium
CID 161376652

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonylphenol?
The IUPAC name of 3-(3-methylphenyl)sulfonylphenol (CID 134285490) is 3-(3-methylphenyl)sulfonylphenol.
What is the SMILES notation for 3-(3-methylphenyl)sulfonylphenol?
The canonical SMILES for 3-(3-methylphenyl)sulfonylphenol is Cc1cccc(S(=O)(=O)c2cccc(O)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfonylphenol?
The InChIKey is XKGRQSGJGWPDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13/h2-9,14H,1H3.
What are the key properties of 3-(3-methylphenyl)sulfonylphenol?
3-(3-methylphenyl)sulfonylphenol has a molecular weight of 248.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonylphenol is sourced from PubChem (CID 134285490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).