2-(4-methylphenyl)sulfonylphenol

C13H12O3S — CID 10879464

IUPAC2-(4-methylphenyl)sulfonylphenol
SMILESCc1ccc(S(=O)(=O)c2ccccc2O)cc1
InChIInChI=1S/C13H12O3S/c1-10-6-8-11(9-7-10)17(15,16)13-5-3-2-4-12(13)14/h2-9,14H,1H3
InChIKeyGRNCNZGRNOWBKC-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylphenol

2-(4-methylphenyl)sulfonylphenol (PubChem CID 10879464) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylphenol.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylphenol
PubChem CID10879464
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name2-(4-methylphenyl)sulfonylphenol
SMILESCc1ccc(S(=O)(=O)c2ccccc2O)cc1
InChIInChI=1S/C13H12O3S/c1-10-6-8-11(9-7-10)17(15,16)13-5-3-2-4-12(13)14/h2-9,14H,1H3
InChIKeyGRNCNZGRNOWBKC-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

1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(4-methylphenyl)sulfonylbenzenesulfonate
CID 22251002
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
2-(4-methylphenyl)sulfonylbenzoic acid
CID 71025633
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
N-hydroxy-2-(4-methylphenyl)sulfonylbenzeneamine oxide
CID 21141410
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549
3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301592
[2-(4-methylphenyl)sulfonylphenyl] dihydrogen phosphate
CID 175302905

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylphenol?
The IUPAC name of 2-(4-methylphenyl)sulfonylphenol (CID 10879464) is 2-(4-methylphenyl)sulfonylphenol.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylphenol?
The canonical SMILES for 2-(4-methylphenyl)sulfonylphenol is Cc1ccc(S(=O)(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylphenol?
The InChIKey is GRNCNZGRNOWBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-10-6-8-11(9-7-10)17(15,16)13-5-3-2-4-12(13)14/h2-9,14H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylphenol?
2-(4-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 2-(4-methylphenyl)sulfonylphenol is sourced from PubChem (CID 10879464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).