2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol

C22H26O7S — CID 162405815

IUPAC2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESO=S(=O)(C#Cc1ccc(OCCOCCOCCOCCO)cc1)c1ccccc1
InChIInChI=1S/C22H26O7S/c23-11-12-26-13-14-27-15-16-28-17-18-29-21-8-6-20(7-9-21)10-19-30(24,25)22-4-2-1-3-5-22/h1-9,23H,11-18H2
InChIKeyWVELGTWPNHEYBW-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.89
Rot. Bonds13

About 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 162405815) has the molecular formula C22H26O7S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID162405815
Molecular FormulaC22H26O7S
Molecular Weight434.51 g/mol
Exact Mass434.14
IUPAC Name2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESO=S(=O)(C#Cc1ccc(OCCOCCOCCOCCO)cc1)c1ccccc1
InChIInChI=1S/C22H26O7S/c23-11-12-26-13-14-27-15-16-28-17-18-29-21-8-6-20(7-9-21)10-19-30(24,25)22-4-2-1-3-5-22/h1-9,23H,11-18H2
InChIKeyWVELGTWPNHEYBW-UHFFFAOYSA-N
XLogP1.89
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 162405815) is 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol is O=S(=O)(C#Cc1ccc(OCCOCCOCCOCCO)cc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WVELGTWPNHEYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7S/c23-11-12-26-13-14-27-15-16-28-17-18-29-21-8-6-20(7-9-21)10-19-30(24,25)22-4-2-1-3-5-22/h1-9,23H,11-18H2.
What are the key properties of 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 434.51 g/mol, XLogP of 1.89, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[2-(benzenesulfonyl)ethynyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 162405815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).