3-(3-hydroxyphenyl)sulfonylphenol

C12H10O4S — CID 18401297

IUPAC3-(3-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C12H10O4S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8,13-14H
InChIKeyOQYYLPLRBBDFLA-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.93
Rot. Bonds2

About 3-(3-hydroxyphenyl)sulfonylphenol

3-(3-hydroxyphenyl)sulfonylphenol (PubChem CID 18401297) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)sulfonylphenol
PubChem CID18401297
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name3-(3-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C12H10O4S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8,13-14H
InChIKeyOQYYLPLRBBDFLA-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 3-(3-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 3-(3-hydroxyphenyl)sulfonylphenol (CID 18401297) is 3-(3-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 3-(3-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 3-(3-hydroxyphenyl)sulfonylphenol is O=S(=O)(c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)sulfonylphenol?
The InChIKey is OQYYLPLRBBDFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8,13-14H.
What are the key properties of 3-(3-hydroxyphenyl)sulfonylphenol?
3-(3-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 3-(3-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 18401297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).