4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol

C15H16O4S — CID 101301909

IUPAC4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2c(C)cccc2O)cc(C)c1O
InChIInChI=1S/C15H16O4S/c1-9-5-4-6-13(16)15(9)20(18,19)12-7-10(2)14(17)11(3)8-12/h4-8,16-17H,1-3H3
InChIKeyIVICCWZWYRMRQB-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds2

About 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol

4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol (PubChem CID 101301909) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
PubChem CID101301909
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2c(C)cccc2O)cc(C)c1O
InChIInChI=1S/C15H16O4S/c1-9-5-4-6-13(16)15(9)20(18,19)12-7-10(2)14(17)11(3)8-12/h4-8,16-17H,1-3H3
InChIKeyIVICCWZWYRMRQB-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

Analyze 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol?
The IUPAC name of 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol (CID 101301909) is 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol?
The canonical SMILES for 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol is Cc1cc(S(=O)(=O)c2c(C)cccc2O)cc(C)c1O.
What is the InChIKey of 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol?
The InChIKey is IVICCWZWYRMRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9-5-4-6-13(16)15(9)20(18,19)12-7-10(2)14(17)11(3)8-12/h4-8,16-17H,1-3H3.
What are the key properties of 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol?
4-(2-hydroxy-6-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 4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol is sourced from PubChem (CID 101301909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).