3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol

C17H20O4S — CID 101302128

IUPAC3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
SMILESCc1ccc(S(=O)(=O)c2cc(C)c(C)c(O)c2C)c(O)c1C
InChIInChI=1S/C17H20O4S/c1-9-6-7-14(17(19)11(9)3)22(20,21)15-8-10(2)12(4)16(18)13(15)5/h6-8,18-19H,1-5H3
InChIKeyALTULUHJRQIUDB-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.47
Rot. Bonds2

About 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol

3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol (PubChem CID 101302128) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
PubChem CID101302128
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
SMILESCc1ccc(S(=O)(=O)c2cc(C)c(C)c(O)c2C)c(O)c1C
InChIInChI=1S/C17H20O4S/c1-9-6-7-14(17(19)11(9)3)22(20,21)15-8-10(2)12(4)16(18)13(15)5/h6-8,18-19H,1-5H3
InChIKeyALTULUHJRQIUDB-UHFFFAOYSA-N
XLogP3.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301972
6-ethylsulfonyl-2,3-dimethylphenol
CID 91442868
3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301834
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,5,6-trimethylphenol
CID 101302225
3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol
CID 101301613
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol?
The IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol (CID 101302128) is 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol is Cc1ccc(S(=O)(=O)c2cc(C)c(C)c(O)c2C)c(O)c1C.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol?
The InChIKey is ALTULUHJRQIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-9-6-7-14(17(19)11(9)3)22(20,21)15-8-10(2)12(4)16(18)13(15)5/h6-8,18-19H,1-5H3.
What are the key properties of 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol?
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol has a molecular weight of 320.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol is sourced from PubChem (CID 101302128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).