4-(4-hydroxyphenyl)sulfonylphenol

C12H10O4S — CID 6626

IUPAC4-(4-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyVPWNQTHUCYMVMZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.93
Rot. Bonds2

About 4-(4-hydroxyphenyl)sulfonylphenol

4-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 6626) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfonylphenol
PubChem CID6626
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name4-(4-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKeyVPWNQTHUCYMVMZ-UHFFFAOYSA-N
XLogP1.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfonylphenol (CID 6626) is 4-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is VPWNQTHUCYMVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H.
What are the key properties of 4-(4-hydroxyphenyl)sulfonylphenol?
4-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 250.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 6626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).