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

C19H24O4S — CID 101302280

IUPAC2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol
SMILESCc1cc(O)c(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2O)c(C)c1C
InChIInChI=1S/C19H24O4S/c1-9-8-16(20)18(14(6)10(9)2)24(22,23)19-15(7)12(4)11(3)13(5)17(19)21/h8,20-21H,1-7H3
InChIKeyRIFXRRVVHWPBOW-UHFFFAOYSA-N
MW348.46 g/mol
LogP4.09
Rot. Bonds2

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

2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol (PubChem CID 101302280) has the molecular formula C19H24O4S and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol.

Molecular Properties

Compound Name2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol
PubChem CID101302280
Molecular FormulaC19H24O4S
Molecular Weight348.46 g/mol
Exact Mass348.14
IUPAC Name2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol
SMILESCc1cc(O)c(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2O)c(C)c1C
InChIInChI=1S/C19H24O4S/c1-9-8-16(20)18(14(6)10(9)2)24(22,23)19-15(7)12(4)11(3)13(5)17(19)21/h8,20-21H,1-7H3
InChIKeyRIFXRRVVHWPBOW-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

2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224
4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302306
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,5,6-trimethylphenol
CID 101302225
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
CID 101302013
6-(2-hydroxy-3,4,5-trimethylphenyl)-2,3,4-trimethylphenol
CID 18674738
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
3,5-dimethylbenzene-1,2-diol;3,4,5-trimethylbenzene-1,2-diol
CID 22492701
5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302151
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol?
The IUPAC name of 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol (CID 101302280) is 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol.
What is the SMILES notation for 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol?
The canonical SMILES for 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol is Cc1cc(O)c(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2O)c(C)c1C.
What is the InChIKey of 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol?
The InChIKey is RIFXRRVVHWPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4S/c1-9-8-16(20)18(14(6)10(9)2)24(22,23)19-15(7)12(4)11(3)13(5)17(19)21/h8,20-21H,1-7H3.
What are the key properties of 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol?
2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-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 2-(6-hydroxy-2,3,4-trimethylphenyl)sulfonyl-3,4,5,6-tetramethylphenol is sourced from PubChem (CID 101302280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).