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

C18H22O4S — CID 101302249

IUPAC6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2C)c(O)c(C)c1C
InChIInChI=1S/C18H22O4S/c1-9-7-16(18(20)13(5)11(9)3)23(21,22)15-8-10(2)17(19)14(6)12(15)4/h7-8,19-20H,1-6H3
InChIKeyOYAHPDOVBHEVOB-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.78
Rot. Bonds2

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

6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol (PubChem CID 101302249) has the molecular formula C18H22O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol.

Molecular Properties

Compound Name6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
PubChem CID101302249
Molecular FormulaC18H22O4S
Molecular Weight334.44 g/mol
Exact Mass334.12
IUPAC Name6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2C)c(O)c(C)c1C
InChIInChI=1S/C18H22O4S/c1-9-7-16(18(20)13(5)11(9)3)23(21,22)15-8-10(2)17(19)14(6)12(15)4/h7-8,19-20H,1-6H3
InChIKeyOYAHPDOVBHEVOB-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

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
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
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
4-(3,5-dimethylphenyl)sulfonyl-2,6-dimethylbenzene-1,3-diol
CID 87589159
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
3-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-2,4,6-trimethylphenol
CID 101302163
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
4-(3-hydroxy-2,4,6-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302306
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The IUPAC name of 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol (CID 101302249) is 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol.
What is the SMILES notation for 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The canonical SMILES for 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol is Cc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2C)c(O)c(C)c1C.
What is the InChIKey of 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
The InChIKey is OYAHPDOVBHEVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4S/c1-9-7-16(18(20)13(5)11(9)3)23(21,22)15-8-10(2)17(19)14(6)12(15)4/h7-8,19-20H,1-6H3.
What are the key properties of 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol?
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-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 6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol is sourced from PubChem (CID 101302249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).