4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol

C32H26O8S2 — CID 22020849

IUPAC4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2COc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C32H26O8S2/c33-25-5-13-29(14-6-25)41(35,36)31-17-9-27(10-18-31)39-21-23-3-1-2-4-24(23)22-40-28-11-19-32(20-12-28)42(37,38)30-15-7-26(34)8-16-30/h1-20,33-34H,21-22H2
InChIKeyYYPGPVLPKABMQT-UHFFFAOYSA-N
MW602.69 g/mol
LogP5.92
Rot. Bonds10

About 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol

4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol (PubChem CID 22020849) has the molecular formula C32H26O8S2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
PubChem CID22020849
Molecular FormulaC32H26O8S2
Molecular Weight602.69 g/mol
Exact Mass602.11
IUPAC Name4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2COc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C32H26O8S2/c33-25-5-13-29(14-6-25)41(35,36)31-17-9-27(10-18-31)39-21-23-3-1-2-4-24(23)22-40-28-11-19-32(20-12-28)42(37,38)30-15-7-26(34)8-16-30/h1-20,33-34H,21-22H2
InChIKeyYYPGPVLPKABMQT-UHFFFAOYSA-N
XLogP5.92
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
The IUPAC name of 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol (CID 22020849) is 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
The canonical SMILES for 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2COc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
The InChIKey is YYPGPVLPKABMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O8S2/c33-25-5-13-29(14-6-25)41(35,36)31-17-9-27(10-18-31)39-21-23-3-1-2-4-24(23)22-40-28-11-19-32(20-12-28)42(37,38)30-15-7-26(34)8-16-30/h1-20,33-34H,21-22H2.
What are the key properties of 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol has a molecular weight of 602.69 g/mol, XLogP of 5.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 22020849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).