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

C17H20O4S — CID 101302151

IUPAC5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
SMILESCc1ccc(O)c(S(=O)(=O)c2cc(O)c(C)c(C)c2C)c1C
InChIInChI=1S/C17H20O4S/c1-9-6-7-14(18)17(10(9)2)22(20,21)16-8-15(19)12(4)11(3)13(16)5/h6-8,18-19H,1-5H3
InChIKeyAKPHSLPKTPGINM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.47
Rot. Bonds2

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

5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol (PubChem CID 101302151) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol.

Molecular Properties

Compound Name5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
PubChem CID101302151
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
SMILESCc1ccc(O)c(S(=O)(=O)c2cc(O)c(C)c(C)c2C)c1C
InChIInChI=1S/C17H20O4S/c1-9-6-7-14(18)17(10(9)2)22(20,21)16-8-15(19)12(4)11(3)13(16)5/h6-8,18-19H,1-5H3
InChIKeyAKPHSLPKTPGINM-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

2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
CID 101302013
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302006
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971
4-hydroxy-2,3-dimethylbenzenesulfonic acid
CID 3020229
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
2-methyl-3-methylsulfonylbenzene-1,4-diol
CID 130033370
5-(benzenesulfonyl)-3,4-dimethylbenzene-1,2-diol
CID 101301694

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The IUPAC name of 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol (CID 101302151) is 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol.
What is the SMILES notation for 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The canonical SMILES for 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol is Cc1ccc(O)c(S(=O)(=O)c2cc(O)c(C)c(C)c2C)c1C.
What is the InChIKey of 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The InChIKey is AKPHSLPKTPGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-9-6-7-14(18)17(10(9)2)22(20,21)16-8-15(19)12(4)11(3)13(16)5/h6-8,18-19H,1-5H3.
What are the key properties of 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-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 5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol is sourced from PubChem (CID 101302151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).