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

C16H18O4S — CID 101302047

IUPAC5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(C)c(C)c(O)c2)c(C)cc1O
InChIInChI=1S/C16H18O4S/c1-9-5-13(8-15(18)12(9)4)21(19,20)16-7-10(2)14(17)6-11(16)3/h5-8,17-18H,1-4H3
InChIKeyAMSRPLGTLXNBIY-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.16
Rot. Bonds2

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

5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol (PubChem CID 101302047) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol.

Molecular Properties

Compound Name5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
PubChem CID101302047
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(C)c(C)c(O)c2)c(C)cc1O
InChIInChI=1S/C16H18O4S/c1-9-5-13(8-15(18)12(9)4)21(19,20)16-7-10(2)14(17)6-11(16)3/h5-8,17-18H,1-4H3
InChIKeyAMSRPLGTLXNBIY-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

5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301888
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
CID 130769314
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
2-methyl-5-methylsulfonylbenzene-1,4-diol
CID 10867377
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
2,5-dihydroxy-4-methylbenzenesulfonic acid
CID 18724887
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
The IUPAC name of 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol (CID 101302047) is 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol.
What is the SMILES notation for 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
The canonical SMILES for 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol is Cc1cc(S(=O)(=O)c2cc(C)c(C)c(O)c2)c(C)cc1O.
What is the InChIKey of 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
The InChIKey is AMSRPLGTLXNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-9-5-13(8-15(18)12(9)4)21(19,20)16-7-10(2)14(17)6-11(16)3/h5-8,17-18H,1-4H3.
What are the key properties of 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-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 5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol is sourced from PubChem (CID 101302047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).