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

C17H20O4S — CID 101302217

IUPAC4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2c(C)cc(O)cc2C)c(C)c(C)c1O
InChIInChI=1S/C17H20O4S/c1-9-8-15(12(4)13(5)16(9)19)22(20,21)17-10(2)6-14(18)7-11(17)3/h6-8,18-19H,1-5H3
InChIKeyOBGMCODOAYNKAE-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.47
Rot. Bonds2

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

4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol (PubChem CID 101302217) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
PubChem CID101302217
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2c(C)cc(O)cc2C)c(C)c(C)c1O
InChIInChI=1S/C17H20O4S/c1-9-8-15(12(4)13(5)16(9)19)22(20,21)17-10(2)6-14(18)7-11(17)3/h6-8,18-19H,1-5H3
InChIKeyOBGMCODOAYNKAE-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

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
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
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
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
4-(3,5-dimethylphenyl)sulfonyl-2,6-dimethylbenzene-1,3-diol
CID 87589159

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol?
The IUPAC name of 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol (CID 101302217) is 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol?
The canonical SMILES for 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol is Cc1cc(S(=O)(=O)c2c(C)cc(O)cc2C)c(C)c(C)c1O.
What is the InChIKey of 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol?
The InChIKey is OBGMCODOAYNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-9-8-15(12(4)13(5)16(9)19)22(20,21)17-10(2)6-14(18)7-11(17)3/h6-8,18-19H,1-5H3.
What are the key properties of 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol?
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-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 4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol is sourced from PubChem (CID 101302217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).