2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol

C15H24O7S — CID 21244009

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(O)COCCOCCOCCO)cc1
InChIInChI=1S/C15H24O7S/c1-13-2-4-14(5-3-13)23(18,19)15(17)12-22-11-10-21-9-8-20-7-6-16/h2-5,15-17H,6-12H2,1H3
InChIKeyLCPYCGXXFACDDQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.13
Rot. Bonds12

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol (PubChem CID 21244009) has the molecular formula C15H24O7S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol
PubChem CID21244009
Molecular FormulaC15H24O7S
Molecular Weight348.42 g/mol
Exact Mass348.12
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(O)COCCOCCOCCO)cc1
InChIInChI=1S/C15H24O7S/c1-13-2-4-14(5-3-13)23(18,19)15(17)12-22-11-10-21-9-8-20-7-6-16/h2-5,15-17H,6-12H2,1H3
InChIKeyLCPYCGXXFACDDQ-UHFFFAOYSA-N
XLogP0.13
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol (CID 21244009) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol is Cc1ccc(S(=O)(=O)C(O)COCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol?
The InChIKey is LCPYCGXXFACDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O7S/c1-13-2-4-14(5-3-13)23(18,19)15(17)12-22-11-10-21-9-8-20-7-6-16/h2-5,15-17H,6-12H2,1H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol has a molecular weight of 348.42 g/mol, XLogP of 0.13, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)sulfonylethanol is sourced from PubChem (CID 21244009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).