2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate

C15H24O6S — CID 118048156

IUPAC2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCc1ccc(COCCOCCOCCOS(C)(=O)=O)cc1
InChIInChI=1S/C15H24O6S/c1-14-3-5-15(6-4-14)13-20-10-9-18-7-8-19-11-12-21-22(2,16)17/h3-6H,7-13H2,1-2H3
InChIKeyGGPMUWBKSQHTOX-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.52
Rot. Bonds12

About 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 118048156) has the molecular formula C15H24O6S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID118048156
Molecular FormulaC15H24O6S
Molecular Weight332.42 g/mol
Exact Mass332.13
IUPAC Name2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCc1ccc(COCCOCCOCCOS(C)(=O)=O)cc1
InChIInChI=1S/C15H24O6S/c1-14-3-5-15(6-4-14)13-20-10-9-18-7-8-19-11-12-21-22(2,16)17/h3-6H,7-13H2,1-2H3
InChIKeyGGPMUWBKSQHTOX-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate 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-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
(4-methylphenyl)methyl methanesulfonate
CID 22896234
2-(pyridin-4-ylmethoxy)ethyl methanesulfonate
CID 89158313
2-[2-(5-phenylmethoxypentoxy)ethoxy]ethyl methanesulfonate
CID 151732579
2-[2-[[3,5-bis[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 10328359
2-[2-[2-[2-[2-[2-[2-[(4-dodecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 24748954
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
4-methylbenzenesulfonic acid;2-(2-phenylmethoxyethoxy)ethanol
CID 86136582
ethyl 4-methylbenzenesulfonate;2-[2-(2-phenylmethoxyethoxy)ethoxy]ethanol
CID 146318742
2-(4-methylanilino)ethyl methanesulfonate
CID 90045939
2-(4-methyl-N-(4-methylphenyl)anilino)ethyl methanesulfonate
CID 91734245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 118048156) is 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate is Cc1ccc(COCCOCCOCCOS(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is GGPMUWBKSQHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6S/c1-14-3-5-15(6-4-14)13-20-10-9-18-7-8-19-11-12-21-22(2,16)17/h3-6H,7-13H2,1-2H3.
What are the key properties of 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 332.42 g/mol, XLogP of 1.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 118048156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).