4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol

C24H18O4S — CID 22497168

IUPAC4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol
SMILESO=S(=O)(c1ccc(-c2ccc(O)cc2)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H18O4S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16,25-26H
InChIKeyYZWHABYDMRBPOC-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.26
Rot. Bonds4

About 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol

4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol (PubChem CID 22497168) has the molecular formula C24H18O4S and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol.

Molecular Properties

Compound Name4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol
PubChem CID22497168
Molecular FormulaC24H18O4S
Molecular Weight402.47 g/mol
Exact Mass402.09
IUPAC Name4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol
SMILESO=S(=O)(c1ccc(-c2ccc(O)cc2)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H18O4S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16,25-26H
InChIKeyYZWHABYDMRBPOC-UHFFFAOYSA-N
XLogP5.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol?
The IUPAC name of 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol (CID 22497168) is 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol.
What is the SMILES notation for 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol?
The canonical SMILES for 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol is O=S(=O)(c1ccc(-c2ccc(O)cc2)cc1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol?
The InChIKey is YZWHABYDMRBPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16,25-26H.
What are the key properties of 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol?
4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol has a molecular weight of 402.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-hydroxyphenyl)phenyl]sulfonylphenyl]phenol is sourced from PubChem (CID 22497168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).