4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol

C20H26O4S — CID 14848716

IUPAC4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol
SMILESCC(C)(C)c1ccc(O)c(S(=O)(=O)c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C20H26O4S/c1-19(2,3)13-7-9-15(21)17(11-13)25(23,24)18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3
InChIKeyAPDGZDWCUPUYNH-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.53
Rot. Bonds2

About 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol

4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol (PubChem CID 14848716) has the molecular formula C20H26O4S and a molecular weight of 362.49 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol
PubChem CID14848716
Molecular FormulaC20H26O4S
Molecular Weight362.49 g/mol
Exact Mass362.16
IUPAC Name4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol
SMILESCC(C)(C)c1ccc(O)c(S(=O)(=O)c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C20H26O4S/c1-19(2,3)13-7-9-15(21)17(11-13)25(23,24)18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3
InChIKeyAPDGZDWCUPUYNH-UHFFFAOYSA-N
XLogP4.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol 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-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol (CID 14848716) is 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol is CC(C)(C)c1ccc(O)c(S(=O)(=O)c2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol?
The InChIKey is APDGZDWCUPUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4S/c1-19(2,3)13-7-9-15(21)17(11-13)25(23,24)18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3.
What are the key properties of 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol?
4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol has a molecular weight of 362.49 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 14848716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).