2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol

C18H22O4S — CID 101302224

IUPAC2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2c(O)cc(C)c(C)c2C)c(O)c(C)c1C
InChIInChI=1S/C18H22O4S/c1-9-7-15(19)18(14(6)12(9)4)23(21,22)16-8-10(2)11(3)13(5)17(16)20/h7-8,19-20H,1-6H3
InChIKeyPSSBGFIKQYPMIE-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.78
Rot. Bonds2

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

2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol (PubChem CID 101302224) has the molecular formula C18H22O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
PubChem CID101302224
Molecular FormulaC18H22O4S
Molecular Weight334.44 g/mol
Exact Mass334.12
IUPAC Name2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2c(O)cc(C)c(C)c2C)c(O)c(C)c1C
InChIInChI=1S/C18H22O4S/c1-9-7-15(19)18(14(6)12(9)4)23(21,22)16-8-10(2)11(3)13(5)17(16)20/h7-8,19-20H,1-6H3
InChIKeyPSSBGFIKQYPMIE-UHFFFAOYSA-N
XLogP3.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
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
4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302306
3-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-2,4,6-trimethylphenol
CID 101302163
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol?
The IUPAC name of 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol (CID 101302224) is 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol.
What is the SMILES notation for 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol?
The canonical SMILES for 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol is Cc1cc(S(=O)(=O)c2c(O)cc(C)c(C)c2C)c(O)c(C)c1C.
What is the InChIKey of 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol?
The InChIKey is PSSBGFIKQYPMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4S/c1-9-7-15(19)18(14(6)12(9)4)23(21,22)16-8-10(2)11(3)13(5)17(16)20/h7-8,19-20H,1-6H3.
What are the key properties of 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol?
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol has a molecular weight of 334.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol is sourced from PubChem (CID 101302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).