4-[2-(2-methoxyethoxy)ethoxy]benzonitrile

C12H15NO3 — CID 43289507

IUPAC4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
SMILESCOCCOCCOc1ccc(C#N)cc1
InChIInChI=1S/C12H15NO3/c1-14-6-7-15-8-9-16-12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyOBJSLWBYHDABBN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile

4-[2-(2-methoxyethoxy)ethoxy]benzonitrile (PubChem CID 43289507) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
PubChem CID43289507
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
SMILESCOCCOCCOc1ccc(C#N)cc1
InChIInChI=1S/C12H15NO3/c1-14-6-7-15-8-9-16-12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyOBJSLWBYHDABBN-UHFFFAOYSA-N
XLogP1.60
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
4-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289689
4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990717
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
4-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzonitrile
CID 104561582
3-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 104561498
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
4-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394522

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile (CID 43289507) is 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile is COCCOCCOc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile?
The InChIKey is OBJSLWBYHDABBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-14-6-7-15-8-9-16-12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile?
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]benzonitrile is sourced from PubChem (CID 43289507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).