3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol

C34H38O6S — CID 21260787

IUPAC3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol
SMILESCc1c(O)ccc(S(=O)(=O)c2ccc(O)c(C)c2-c2cc(C(C)(C)C)ccc2O)c1-c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C34H38O6S/c1-19-25(35)13-15-29(31(19)23-17-21(33(3,4)5)9-11-27(23)37)41(39,40)30-16-14-26(36)20(2)32(30)24-18-22(34(6,7)8)10-12-28(24)38/h9-18,35-38H,1-8H3
InChIKeyLRUQYPWCFCPMBE-UHFFFAOYSA-N
MW574.74 g/mol
LogP7.89
Rot. Bonds4

About 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol

3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol (PubChem CID 21260787) has the molecular formula C34H38O6S and a molecular weight of 574.74 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol.

Molecular Properties

Compound Name3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol
PubChem CID21260787
Molecular FormulaC34H38O6S
Molecular Weight574.74 g/mol
Exact Mass574.24
IUPAC Name3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol
SMILESCc1c(O)ccc(S(=O)(=O)c2ccc(O)c(C)c2-c2cc(C(C)(C)C)ccc2O)c1-c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C34H38O6S/c1-19-25(35)13-15-29(31(19)23-17-21(33(3,4)5)9-11-27(23)37)41(39,40)30-16-14-26(36)20(2)32(30)24-18-22(34(6,7)8)10-12-28(24)38/h9-18,35-38H,1-8H3
InChIKeyLRUQYPWCFCPMBE-UHFFFAOYSA-N
XLogP7.89
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.74
LogP ≤ 57.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol 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 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol?
The IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol (CID 21260787) is 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol.
What is the SMILES notation for 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol?
The canonical SMILES for 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol is Cc1c(O)ccc(S(=O)(=O)c2ccc(O)c(C)c2-c2cc(C(C)(C)C)ccc2O)c1-c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol?
The InChIKey is LRUQYPWCFCPMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O6S/c1-19-25(35)13-15-29(31(19)23-17-21(33(3,4)5)9-11-27(23)37)41(39,40)30-16-14-26(36)20(2)32(30)24-18-22(34(6,7)8)10-12-28(24)38/h9-18,35-38H,1-8H3.
What are the key properties of 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol?
3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol has a molecular weight of 574.74 g/mol, XLogP of 7.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-hydroxyphenyl)-4-[2-(5-tert-butyl-2-hydroxyphenyl)-4-hydroxy-3-methylphenyl]sulfonyl-2-methylphenol is sourced from PubChem (CID 21260787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).