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

C17H20O4S — CID 101302115

IUPAC6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2)c(O)c(C)c1C
InChIInChI=1S/C17H20O4S/c1-9-8-15(17(19)13(5)12(9)4)22(20,21)14-6-10(2)16(18)11(3)7-14/h6-8,18-19H,1-5H3
InChIKeyBSLVQFNJNBWHAY-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.47
Rot. Bonds2

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

6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol (PubChem CID 101302115) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol.

Molecular Properties

Compound Name6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
PubChem CID101302115
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2)c(O)c(C)c1C
InChIInChI=1S/C17H20O4S/c1-9-8-15(17(19)13(5)12(9)4)22(20,21)14-6-10(2)16(18)11(3)7-14/h6-8,18-19H,1-5H3
InChIKeyBSLVQFNJNBWHAY-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

6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
4-(3,5-dimethylphenyl)sulfonyl-2,6-dimethylbenzene-1,3-diol
CID 87589159
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
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol
CID 147932232
2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
CID 101302013
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
CID 130033661

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The IUPAC name of 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol (CID 101302115) is 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol.
What is the SMILES notation for 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The canonical SMILES for 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol is Cc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2)c(O)c(C)c1C.
What is the InChIKey of 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The InChIKey is BSLVQFNJNBWHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-9-8-15(17(19)13(5)12(9)4)22(20,21)14-6-10(2)16(18)11(3)7-14/h6-8,18-19H,1-5H3.
What are the key properties of 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
6-(4-hydroxy-3,5-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 6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol is sourced from PubChem (CID 101302115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).