1-(2-methoxyethoxy)ethoxymethylbenzene

C12H18O3 — CID 22235151

IUPAC1-(2-methoxyethoxy)ethoxymethylbenzene
SMILESCOCCOC(C)OCc1ccccc1
InChIInChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyCNGTXGHYZBQUQS-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds7

About 1-(2-methoxyethoxy)ethoxymethylbenzene

1-(2-methoxyethoxy)ethoxymethylbenzene (PubChem CID 22235151) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)ethoxymethylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)ethoxymethylbenzene
PubChem CID22235151
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-methoxyethoxy)ethoxymethylbenzene
SMILESCOCCOC(C)OCc1ccccc1
InChIInChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyCNGTXGHYZBQUQS-UHFFFAOYSA-N
XLogP2.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethoxy)ethoxymethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)ethoxymethylbenzene?
The IUPAC name of 1-(2-methoxyethoxy)ethoxymethylbenzene (CID 22235151) is 1-(2-methoxyethoxy)ethoxymethylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxy)ethoxymethylbenzene?
The canonical SMILES for 1-(2-methoxyethoxy)ethoxymethylbenzene is COCCOC(C)OCc1ccccc1.
What is the InChIKey of 1-(2-methoxyethoxy)ethoxymethylbenzene?
The InChIKey is CNGTXGHYZBQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)ethoxymethylbenzene?
1-(2-methoxyethoxy)ethoxymethylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)ethoxymethylbenzene is sourced from PubChem (CID 22235151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).