4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid

C10H14O6S — CID 21471088

IUPAC4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C10H14O6S/c11-5-6-15-7-8-16-9-1-3-10(4-2-9)17(12,13)14/h1-4,11H,5-8H2,(H,12,13,14)
InChIKeyZZBFMGVBDXKZAZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.32
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid

4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid (PubChem CID 21471088) has the molecular formula C10H14O6S and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
PubChem CID21471088
Molecular FormulaC10H14O6S
Molecular Weight262.28 g/mol
Exact Mass262.05
IUPAC Name4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C10H14O6S/c11-5-6-15-7-8-16-9-1-3-10(4-2-9)17(12,13)14/h1-4,11H,5-8H2,(H,12,13,14)
InChIKeyZZBFMGVBDXKZAZ-UHFFFAOYSA-N
XLogP0.32
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-(11-hydroxyundecoxy)benzenesulfonic acid
CID 71377901
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4-methylbenzenesulfonic acid
CID 175508150
4-[2-(4-iodophenoxy)ethoxy]benzenesulfonic acid
CID 170531267
sodium;hydride;4-(6-hydroxyhexoxy)benzenesulfonic acid
CID 173139636
4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 139432783
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
2-[4-[2-[2-[2-[2-[2-[4-(2-sulfoethylsulfonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]sulfonylethanesulfonic acid
CID 122471101
4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 22020843
2-(2-phenoxyethoxy)ethanol
CID 7715

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid (CID 21471088) is 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid is O=S(=O)(O)c1ccc(OCCOCCO)cc1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid?
The InChIKey is ZZBFMGVBDXKZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6S/c11-5-6-15-7-8-16-9-1-3-10(4-2-9)17(12,13)14/h1-4,11H,5-8H2,(H,12,13,14).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid?
4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid has a molecular weight of 262.28 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid is sourced from PubChem (CID 21471088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).