4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol

C36H26O5S — CID 155639778

IUPAC4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
SMILESO=S(=O)(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)c1ccc(Oc2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C36H26O5S/c37-30-12-6-27(7-13-30)29-10-16-32(17-11-29)41-34-20-24-36(25-21-34)42(38,39)35-22-18-33(19-23-35)40-31-14-8-28(9-15-31)26-4-2-1-3-5-26/h1-25,37H
InChIKeyCPIWXSGNXMUNRT-UHFFFAOYSA-N
MW570.67 g/mol
LogP9.14
Rot. Bonds8

About 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol

4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol (PubChem CID 155639778) has the molecular formula C36H26O5S and a molecular weight of 570.67 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
PubChem CID155639778
Molecular FormulaC36H26O5S
Molecular Weight570.67 g/mol
Exact Mass570.15
IUPAC Name4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
SMILESO=S(=O)(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)c1ccc(Oc2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C36H26O5S/c37-30-12-6-27(7-13-30)29-10-16-32(17-11-29)41-34-20-24-36(25-21-34)42(38,39)35-22-18-33(19-23-35)40-31-14-8-28(9-15-31)26-4-2-1-3-5-26/h1-25,37H
InChIKeyCPIWXSGNXMUNRT-UHFFFAOYSA-N
XLogP9.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826
4-[4-[4-[4-[4-(4-carboxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]benzoic acid
CID 22404867
[5-[4-[4-(benzenesulfonyl)phenoxy]phenyl]-2-hydroxyphenyl]methyl-trimethylazanium
CID 102195719
4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
CID 67017164
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
CID 70636806
CID 70636806
4-[4-[1-[4-[4-[4-[4-(1-hydroxyethyl)phenyl]phenoxy]phenyl]sulfonylphenyl]ethoxy]phenyl]phenol
CID 153019359

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol?
The IUPAC name of 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol (CID 155639778) is 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol.
What is the SMILES notation for 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol?
The canonical SMILES for 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol is O=S(=O)(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)c1ccc(Oc2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol?
The InChIKey is CPIWXSGNXMUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O5S/c37-30-12-6-27(7-13-30)29-10-16-32(17-11-29)41-34-20-24-36(25-21-34)42(38,39)35-22-18-33(19-23-35)40-31-14-8-28(9-15-31)26-4-2-1-3-5-26/h1-25,37H.
What are the key properties of 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol?
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol has a molecular weight of 570.67 g/mol, XLogP of 9.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol is sourced from PubChem (CID 155639778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).