2-(3-hydroxyphenyl)sulfonyl-5-methylphenol

C13H12O4S — CID 101301580

IUPAC2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
SMILESCc1ccc(S(=O)(=O)c2cccc(O)c2)c(O)c1
InChIInChI=1S/C13H12O4S/c1-9-5-6-13(12(15)7-9)18(16,17)11-4-2-3-10(14)8-11/h2-8,14-15H,1H3
InChIKeyOROHGNUFAAJTFK-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.24
Rot. Bonds2

About 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol

2-(3-hydroxyphenyl)sulfonyl-5-methylphenol (PubChem CID 101301580) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
PubChem CID101301580
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
SMILESCc1ccc(S(=O)(=O)c2cccc(O)c2)c(O)c1
InChIInChI=1S/C13H12O4S/c1-9-5-6-13(12(15)7-9)18(16,17)11-4-2-3-10(14)8-11/h2-8,14-15H,1H3
InChIKeyOROHGNUFAAJTFK-UHFFFAOYSA-N
XLogP2.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)sulfonylphenol
CID 134285490
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
4-(3-methylphenyl)sulfonylphenol
CID 19739466
3-methylphenol;sulfuric acid
CID 70180616
2-(4-methylphenyl)sulfonylphenol
CID 10879464
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
CID 101301651
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol?
The IUPAC name of 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol (CID 101301580) is 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol is Cc1ccc(S(=O)(=O)c2cccc(O)c2)c(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol?
The InChIKey is OROHGNUFAAJTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-9-5-6-13(12(15)7-9)18(16,17)11-4-2-3-10(14)8-11/h2-8,14-15H,1H3.
What are the key properties of 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol?
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol has a molecular weight of 264.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfonyl-5-methylphenol is sourced from PubChem (CID 101301580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).