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

C16H18O4S — CID 101302013

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
SMILESCc1ccc(O)c(S(=O)(=O)c2cc(C)c(O)c(C)c2)c1C
InChIInChI=1S/C16H18O4S/c1-9-5-6-14(17)16(12(9)4)21(19,20)13-7-10(2)15(18)11(3)8-13/h5-8,17-18H,1-4H3
InChIKeyYGYAPBWTETVYQV-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.16
Rot. Bonds2

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

2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol (PubChem CID 101302013) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
PubChem CID101302013
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
SMILESCc1ccc(O)c(S(=O)(=O)c2cc(C)c(O)c(C)c2)c1C
InChIInChI=1S/C16H18O4S/c1-9-5-6-14(17)16(12(9)4)21(19,20)13-7-10(2)15(18)11(3)8-13/h5-8,17-18H,1-4H3
InChIKeyYGYAPBWTETVYQV-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

4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301909
5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302151
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
CID 130033661
4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;(2-hydroxyphenyl)-phenylmethanone
CID 19894441
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
2-methyl-3-methylsulfonylbenzene-1,4-diol
CID 130033370
methyl 4-hydroxy-3,5-dimethylbenzenesulfonate
CID 130033670

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol (CID 101302013) is 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol is Cc1ccc(O)c(S(=O)(=O)c2cc(C)c(O)c(C)c2)c1C.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol?
The InChIKey is YGYAPBWTETVYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-9-5-6-14(17)16(12(9)4)21(19,20)13-7-10(2)15(18)11(3)8-13/h5-8,17-18H,1-4H3.
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol?
2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-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-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol is sourced from PubChem (CID 101302013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).