3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol

C15H16O4S — CID 101301834

IUPAC3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1cccc(S(=O)(=O)c2ccc(C)c(O)c2C)c1O
InChIInChI=1S/C15H16O4S/c1-9-5-4-6-13(15(9)17)20(18,19)12-8-7-10(2)14(16)11(12)3/h4-8,16-17H,1-3H3
InChIKeyXJEGLDWYBKPZKC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds2

About 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol

3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol (PubChem CID 101301834) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
PubChem CID101301834
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1cccc(S(=O)(=O)c2ccc(C)c(O)c2C)c1O
InChIInChI=1S/C15H16O4S/c1-9-5-4-6-13(15(9)17)20(18,19)12-8-7-10(2)14(16)11(12)3/h4-8,16-17H,1-3H3
InChIKeyXJEGLDWYBKPZKC-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol?
The IUPAC name of 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol (CID 101301834) is 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol.
What is the SMILES notation for 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol?
The canonical SMILES for 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol is Cc1cccc(S(=O)(=O)c2ccc(C)c(O)c2C)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol?
The InChIKey is XJEGLDWYBKPZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9-5-4-6-13(15(9)17)20(18,19)12-8-7-10(2)14(16)11(12)3/h4-8,16-17H,1-3H3.
What are the key properties of 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol?
3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-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 3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol is sourced from PubChem (CID 101301834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).