4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol

C40H34O10S2 — CID 67017164

About 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol

4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol (PubChem CID 67017164) has the molecular formula C40H34O10S2 and a molecular weight of 738.84 g/mol. Its IUPAC name is 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol.

Molecular Properties

• Compound Name: 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
• PubChem CID: 67017164
• Molecular Formula: C40H34O10S2
• Molecular Weight: 738.84 g/mol
• Exact Mass: 738.16
• IUPAC Name: 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
• SMILES: CC(Oc1ccc(-c2ccc(OC(C)Oc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
• InChI: InChI=1S/C40H34O10S2/c1-27(49-35-15-23-39(24-16-35)51(43,44)37-19-7-31(41)8-20-37)47-33-11-3-29(4-12-33)30-5-13-34(14-6-30)48-28(2)50-36-17-25-40(26-18-36)52(45,46)38-21-9-32(42)10-22-38/h3-28,41-42H,1-2H3
• InChIKey: LJIIWYZHEJZRFE-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 145.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.84
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol?

The IUPAC name of 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol (CID 67017164) is 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol.

What is the SMILES notation for 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol?

The canonical SMILES for 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol is CC(Oc1ccc(-c2ccc(OC(C)Oc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.

What is the InChIKey of 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol?

The InChIKey is LJIIWYZHEJZRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O10S2/c1-27(49-35-15-23-39(24-16-35)51(43,44)37-19-7-31(41)8-20-37)47-33-11-3-29(4-12-33)30-5-13-34(14-6-30)48-28(2)50-36-17-25-40(26-18-36)52(45,46)38-21-9-32(42)10-22-38/h3-28,41-42H,1-2H3.

What are the key properties of 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol?

4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol has a molecular weight of 738.84 g/mol, XLogP of 8.04, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 67017164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).