4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol

C28H26O9S2 — CID 22020843

IUPAC4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OCCOCCOc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C28H26O9S2/c29-21-1-9-25(10-2-21)38(31,32)27-13-5-23(6-14-27)36-19-17-35-18-20-37-24-7-15-28(16-8-24)39(33,34)26-11-3-22(30)4-12-26/h1-16,29-30H,17-20H2
InChIKeyHHAXYGLOHALPAZ-UHFFFAOYSA-N
MW570.64 g/mol
LogP4.24
Rot. Bonds12

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

4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol (PubChem CID 22020843) has the molecular formula C28H26O9S2 and a molecular weight of 570.64 g/mol. Its IUPAC name is 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
PubChem CID22020843
Molecular FormulaC28H26O9S2
Molecular Weight570.64 g/mol
Exact Mass570.10
IUPAC Name4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OCCOCCOc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C28H26O9S2/c29-21-1-9-25(10-2-21)38(31,32)27-13-5-23(6-14-27)36-19-17-35-18-20-37-24-7-15-28(16-8-24)39(33,34)26-11-3-22(30)4-12-26/h1-16,29-30H,17-20H2
InChIKeyHHAXYGLOHALPAZ-UHFFFAOYSA-N
XLogP4.24
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.64
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenol
CID 71105889
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
CID 66718430
4-[4-[7-[4-(4-ethoxyphenyl)sulfonylphenoxy]heptoxy]phenyl]sulfonylphenol
CID 139963527
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974
4-[4-[10-[4-(4-methoxyphenyl)sulfonylphenoxy]decoxy]phenyl]sulfonylphenol
CID 139963560
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
CID 70636806
CID 70636806
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
CID 21471088
2-[4-[2-[2-[2-[2-[2-[4-(2-sulfoethylsulfonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]sulfonylethanesulfonic acid
CID 122471101

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol?
The IUPAC name of 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol (CID 22020843) is 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol?
The canonical SMILES for 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccc(OCCOCCOc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol?
The InChIKey is HHAXYGLOHALPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O9S2/c29-21-1-9-25(10-2-21)38(31,32)27-13-5-23(6-14-27)36-19-17-35-18-20-37-24-7-15-28(16-8-24)39(33,34)26-11-3-22(30)4-12-26/h1-16,29-30H,17-20H2.
What are the key properties of 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol?
4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol has a molecular weight of 570.64 g/mol, XLogP of 4.24, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 22020843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).