4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol

C19H24O4S — CID 101302303

IUPAC4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
SMILESCc1cc(S(=O)(=O)c2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C19H24O4S/c1-9-8-16(10(2)11(3)17(9)20)24(22,23)19-14(6)12(4)18(21)13(5)15(19)7/h8,20-21H,1-7H3
InChIKeyNLDFBEYZIUMZHX-UHFFFAOYSA-N
MW348.46 g/mol
LogP4.09
Rot. Bonds2

About 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol

4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol (PubChem CID 101302303) has the molecular formula C19H24O4S and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
PubChem CID101302303
Molecular FormulaC19H24O4S
Molecular Weight348.46 g/mol
Exact Mass348.14
IUPAC Name4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
SMILESCc1cc(S(=O)(=O)c2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C19H24O4S/c1-9-8-16(10(2)11(3)17(9)20)24(22,23)19-14(6)12(4)18(21)13(5)15(19)7/h8,20-21H,1-7H3
InChIKeyNLDFBEYZIUMZHX-UHFFFAOYSA-N
XLogP4.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302306
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224
3-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-2,4,6-trimethylphenol
CID 101302163
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,5,6-trimethylphenol
CID 101302225
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
4-(3,5-dimethylphenyl)sulfonyl-2,6-dimethylbenzene-1,3-diol
CID 87589159

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
The IUPAC name of 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol (CID 101302303) is 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol.
What is the SMILES notation for 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
The canonical SMILES for 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol is Cc1cc(S(=O)(=O)c2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O.
What is the InChIKey of 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
The InChIKey is NLDFBEYZIUMZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4S/c1-9-8-16(10(2)11(3)17(9)20)24(22,23)19-14(6)12(4)18(21)13(5)15(19)7/h8,20-21H,1-7H3.
What are the key properties of 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol has a molecular weight of 348.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol is sourced from PubChem (CID 101302303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).