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

C12H18O6S — CID 20595012

IUPAC4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
SMILESCCOCCOCCOc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C12H18O6S/c1-2-16-7-8-17-9-10-18-11-3-5-12(6-4-11)19(13,14)15/h3-6H,2,7-10H2,1H3,(H,13,14,15)
InChIKeyQVGZAXNETAPNQA-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.37
Rot. Bonds9

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

4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid (PubChem CID 20595012) has the molecular formula C12H18O6S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid.

Molecular Properties

Compound Name4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
PubChem CID20595012
Molecular FormulaC12H18O6S
Molecular Weight290.34 g/mol
Exact Mass290.08
IUPAC Name4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
SMILESCCOCCOCCOc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C12H18O6S/c1-2-16-7-8-17-9-10-18-11-3-5-12(6-4-11)19(13,14)15/h3-6H,2,7-10H2,1H3,(H,13,14,15)
InChIKeyQVGZAXNETAPNQA-UHFFFAOYSA-N
XLogP1.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-hydroxyethoxy)ethoxy]benzenesulfonic acid
CID 21471088
4-ethoxybenzenesulfonic acid
CID 7013020
4-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]benzenesulfonate
CID 20595015
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
4-[2-(4-iodophenoxy)ethoxy]benzenesulfonic acid
CID 170531267
4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]benzenesulfonic acid
CID 90129308
sodium;4-hexadecoxybenzenesulfonic acid;hydride
CID 173418063
azane;4-(4-pentoxyphenoxy)benzenesulfonic acid
CID 173280419
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
2-[4-[2-[2-[2-[2-[2-[4-(2-sulfoethylsulfonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]sulfonylethanesulfonic acid
CID 122471101
4-(11-hydroxyundecoxy)benzenesulfonic acid
CID 71377901
4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 22020843

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid?
The IUPAC name of 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid (CID 20595012) is 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid.
What is the SMILES notation for 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid?
The canonical SMILES for 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid is CCOCCOCCOc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid?
The InChIKey is QVGZAXNETAPNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6S/c1-2-16-7-8-17-9-10-18-11-3-5-12(6-4-11)19(13,14)15/h3-6H,2,7-10H2,1H3,(H,13,14,15).
What are the key properties of 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid?
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid has a molecular weight of 290.34 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid is sourced from PubChem (CID 20595012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).