4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol

C15H16O4S — CID 101301917

IUPAC4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(O)ccc2C)c(C)cc1O
InChIInChI=1S/C15H16O4S/c1-9-4-5-12(16)8-15(9)20(18,19)14-7-10(2)13(17)6-11(14)3/h4-8,16-17H,1-3H3
InChIKeyFOTBQEINAGKDQQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds2

About 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol

4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol (PubChem CID 101301917) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
PubChem CID101301917
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(O)ccc2C)c(C)cc1O
InChIInChI=1S/C15H16O4S/c1-9-4-5-12(16)8-15(9)20(18,19)14-7-10(2)13(17)6-11(14)3/h4-8,16-17H,1-3H3
InChIKeyFOTBQEINAGKDQQ-UHFFFAOYSA-N
XLogP2.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
5-hydroxy-N,N,2-trimethylbenzenesulfonamide
CID 21127023
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol
CID 67693182
3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301972
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
CID 101301757
5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301888

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol?
The IUPAC name of 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol (CID 101301917) is 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol.
What is the SMILES notation for 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol?
The canonical SMILES for 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol is Cc1cc(S(=O)(=O)c2cc(O)ccc2C)c(C)cc1O.
What is the InChIKey of 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol?
The InChIKey is FOTBQEINAGKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9-4-5-12(16)8-15(9)20(18,19)14-7-10(2)13(17)6-11(14)3/h4-8,16-17H,1-3H3.
What are the key properties of 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol?
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol has a molecular weight of 292.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol is sourced from PubChem (CID 101301917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).