2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol

C16H18O4S — CID 101301971

IUPAC2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
SMILESCc1cc(O)cc(S(=O)(=O)c2c(C)ccc(C)c2O)c1C
InChIInChI=1S/C16H18O4S/c1-9-5-6-10(2)16(15(9)18)21(19,20)14-8-13(17)7-11(3)12(14)4/h5-8,17-18H,1-4H3
InChIKeyLBZCQJVHVLLETH-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.16
Rot. Bonds2

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

2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol (PubChem CID 101301971) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
PubChem CID101301971
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
SMILESCc1cc(O)cc(S(=O)(=O)c2c(C)ccc(C)c2O)c1C
InChIInChI=1S/C16H18O4S/c1-9-5-6-10(2)16(15(9)18)21(19,20)14-8-13(17)7-11(3)12(14)4/h5-8,17-18H,1-4H3
InChIKeyLBZCQJVHVLLETH-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.16
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
3-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-2,4,6-trimethylphenol
CID 101302163
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,5,6-trimethylphenol
CID 101302225
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
4-methyl-3-(2-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301646
5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302151
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
CID 101301757
3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301834

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol?
The IUPAC name of 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol (CID 101301971) is 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol.
What is the SMILES notation for 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol?
The canonical SMILES for 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol is Cc1cc(O)cc(S(=O)(=O)c2c(C)ccc(C)c2O)c1C.
What is the InChIKey of 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol?
The InChIKey is LBZCQJVHVLLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-9-5-6-10(2)16(15(9)18)21(19,20)14-8-13(17)7-11(3)12(14)4/h5-8,17-18H,1-4H3.
What are the key properties of 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol?
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol has a molecular weight of 306.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol is sourced from PubChem (CID 101301971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).