2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol

C14H22O6S — CID 69492718

IUPAC2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol
SMILESCOC(COCCOCCO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22O6S/c1-12-3-5-13(6-4-12)21(16,17)14(18-2)11-20-10-9-19-8-7-15/h3-6,14-15H,7-11H2,1-2H3
InChIKeyUZVXCAGRATVTRL-UHFFFAOYSA-N
MW318.39 g/mol
LogP0.77
Rot. Bonds10

About 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol

2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol (PubChem CID 69492718) has the molecular formula C14H22O6S and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol
PubChem CID69492718
Molecular FormulaC14H22O6S
Molecular Weight318.39 g/mol
Exact Mass318.11
IUPAC Name2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol
SMILESCOC(COCCOCCO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22O6S/c1-12-3-5-13(6-4-12)21(16,17)14(18-2)11-20-10-9-19-8-7-15/h3-6,14-15H,7-11H2,1-2H3
InChIKeyUZVXCAGRATVTRL-UHFFFAOYSA-N
XLogP0.77
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol;4-methylbenzenesulfonic acid
CID 158908873
2-(2-hydroxyethoxy)ethanol;2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
CID 159030358
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 161353449
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 166148298
2-(2,2-dimethoxyethoxy)ethyl 4-methylbenzenesulfonate
CID 156866600
2-methoxyethanol;4-methylbenzenesulfonic acid
CID 86185124
4-methylbenzenesulfonic acid;2-(2-phenylmethoxyethoxy)ethanol
CID 86136582
dichloromethane;2-(2-hydroxyethoxy)ethanol;4-methylbenzenesulfonyl chloride;2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
CID 158737898
1-azido-2-(2-hydroxyethoxy)ethanol;4-methylbenzenesulfonic acid
CID 175345739
bis(2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate);2-[2-[2-[2-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 165094652
2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane
CID 158075310

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol (CID 69492718) is 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol is COC(COCCOCCO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol?
The InChIKey is UZVXCAGRATVTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6S/c1-12-3-5-13(6-4-12)21(16,17)14(18-2)11-20-10-9-19-8-7-15/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol?
2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol has a molecular weight of 318.39 g/mol, XLogP of 0.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol is sourced from PubChem (CID 69492718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).