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

C16H18O4S — CID 101301972

IUPAC3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1cc(O)c(S(=O)(=O)c2ccc(C)c(O)c2C)cc1C
InChIInChI=1S/C16H18O4S/c1-9-5-6-14(12(4)16(9)18)21(19,20)15-8-11(3)10(2)7-13(15)17/h5-8,17-18H,1-4H3
InChIKeyHADKXCCBDKCRCY-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.16
Rot. Bonds2

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

3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol (PubChem CID 101301972) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
PubChem CID101301972
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1cc(O)c(S(=O)(=O)c2ccc(C)c(O)c2C)cc1C
InChIInChI=1S/C16H18O4S/c1-9-5-6-14(12(4)16(9)18)21(19,20)15-8-11(3)10(2)7-13(15)17/h5-8,17-18H,1-4H3
InChIKeyHADKXCCBDKCRCY-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-hydroxyphenyl)sulfonyl-2,6-dimethylphenol
CID 101301613
3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301834
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
3-(3-hydroxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfinylphenol
CID 118679346
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
6-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302249
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
2-methyl-5-methylsulfonylbenzene-1,4-diol
CID 10867377
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol?
The IUPAC name of 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol (CID 101301972) is 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol.
What is the SMILES notation for 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol?
The canonical SMILES for 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol is Cc1cc(O)c(S(=O)(=O)c2ccc(C)c(O)c2C)cc1C.
What is the InChIKey of 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol?
The InChIKey is HADKXCCBDKCRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-9-5-6-14(12(4)16(9)18)21(19,20)15-8-11(3)10(2)7-13(15)17/h5-8,17-18H,1-4H3.
What are the key properties of 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol?
3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-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 3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol is sourced from PubChem (CID 101301972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).