2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol

C22H30O4S — CID 4522662

IUPAC2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1S(=O)(=O)c1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C22H30O4S/c1-13-9-17(23)15(21(3,4)5)11-19(13)27(25,26)20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKeyWXWMNIHSZVPJOL-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.14
Rot. Bonds2

About 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol

2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol (PubChem CID 4522662) has the molecular formula C22H30O4S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
PubChem CID4522662
Molecular FormulaC22H30O4S
Molecular Weight390.55 g/mol
Exact Mass390.19
IUPAC Name2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1S(=O)(=O)c1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C22H30O4S/c1-13-9-17(23)15(21(3,4)5)11-19(13)27(25,26)20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKeyWXWMNIHSZVPJOL-UHFFFAOYSA-N
XLogP5.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Santonox
CID 7308
2,2'-Diallyl-4,4'-sulfonyldiphenol
CID 833466
4,4'-Thiobis(2-tert-butyl-6-methylphenol)
CID 7306
4-(4-Hydroxy-3-isopropylphenylthio)-2-isopropylphenol
CID 448797
4,4'-Sulfonylbis(2-methylphenol)
CID 257513
Phenol, 4,4'-sulfonylbis[2,6-dimethyl-
CID 83310
Phenol, 2,2'-sulfonylbis[4-(1,1,3,3-tetramethylbutyl)-
CID 84923
2-Tert-butyl-4-(3-tert-butyl-4-hydroxyphenyl)sulfanylphenol
CID 630255
Phenol, 2-(1,1-dimethylethyl)-4-((5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl)thio)-5-methyl-, 1,1',1''-phosphite
CID 169768
Phenol, 4,4'-thiobis[2,6-bis(1,1-dimethylethyl)-
CID 10961213
4,4'-Thiobis(2,5-xylenol)
CID 15800931
Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-
CID 77435

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
The IUPAC name of 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol (CID 4522662) is 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
The canonical SMILES for 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1S(=O)(=O)c1cc(C(C)(C)C)c(O)cc1C.
What is the InChIKey of 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
The InChIKey is WXWMNIHSZVPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4S/c1-13-9-17(23)15(21(3,4)5)11-19(13)27(25,26)20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3.
What are the key properties of 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol has a molecular weight of 390.55 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol is sourced from PubChem (CID 4522662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).