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

C19H24O4S — CID 101302306

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

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

4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol (PubChem CID 101302306) has the molecular formula C19H24O4S and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol.

Molecular Properties

Compound Name4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
PubChem CID101302306
Molecular FormulaC19H24O4S
Molecular Weight348.46 g/mol
Exact Mass348.14
IUPAC Name4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)c(C)c(O)c(C)c2C)c(C)c1O
InChIInChI=1S/C19H24O4S/c1-9-8-10(2)18(15(7)16(9)20)24(22,23)19-13(5)11(3)17(21)12(4)14(19)6/h8,20-21H,1-7H3
InChIKeyPFQFTZXYDNYXRG-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-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
3-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-2,4,6-trimethylphenol
CID 101302163
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol
CID 101302280
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,5,6-trimethylphenol
CID 101302225
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224
2,4,6-trimethylbenzene-1,3-disulfonic acid
CID 14040846
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
The IUPAC name of 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol (CID 101302306) is 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol.
What is the SMILES notation for 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
The canonical SMILES for 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol is Cc1cc(C)c(S(=O)(=O)c2c(C)c(C)c(O)c(C)c2C)c(C)c1O.
What is the InChIKey of 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
The InChIKey is PFQFTZXYDNYXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4S/c1-9-8-10(2)18(15(7)16(9)20)24(22,23)19-13(5)11(3)17(21)12(4)14(19)6/h8,20-21H,1-7H3.
What are the key properties of 4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol?
4-(3-hydroxy-2,4,6-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-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol is sourced from PubChem (CID 101302306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).