4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol

C16H17ClO4S — CID 22257544

IUPAC4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol
SMILESCC(C)(C)c1ccc(O)c(S(=O)(=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C16H17ClO4S/c1-16(2,3)10-4-6-14(19)15(8-10)22(20,21)11-5-7-13(18)12(17)9-11/h4-9,18-19H,1-3H3
InChIKeyAHRQFZPDVQYOTA-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.88
Rot. Bonds2

About 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol

4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol (PubChem CID 22257544) has the molecular formula C16H17ClO4S and a molecular weight of 340.83 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol
PubChem CID22257544
Molecular FormulaC16H17ClO4S
Molecular Weight340.83 g/mol
Exact Mass340.05
IUPAC Name4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol
SMILESCC(C)(C)c1ccc(O)c(S(=O)(=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C16H17ClO4S/c1-16(2,3)10-4-6-14(19)15(8-10)22(20,21)11-5-7-13(18)12(17)9-11/h4-9,18-19H,1-3H3
InChIKeyAHRQFZPDVQYOTA-UHFFFAOYSA-N
XLogP3.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol (CID 22257544) is 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol is CC(C)(C)c1ccc(O)c(S(=O)(=O)c2ccc(O)c(Cl)c2)c1.
What is the InChIKey of 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol?
The InChIKey is AHRQFZPDVQYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4S/c1-16(2,3)10-4-6-14(19)15(8-10)22(20,21)11-5-7-13(18)12(17)9-11/h4-9,18-19H,1-3H3.
What are the key properties of 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol?
4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol has a molecular weight of 340.83 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 22257544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).