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

C15H21NO3 — CID 43289691

IUPAC4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
SMILESCCCCOCCOCCOc1ccc(C#N)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-8-17-9-10-18-11-12-19-15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-12H2,1H3
InChIKeyHCHUAOHIFOWSOK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds10

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

4-[2-(2-butoxyethoxy)ethoxy]benzonitrile (PubChem CID 43289691) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
PubChem CID43289691
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
SMILESCCCCOCCOCCOc1ccc(C#N)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-8-17-9-10-18-11-12-19-15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-12H2,1H3
InChIKeyHCHUAOHIFOWSOK-UHFFFAOYSA-N
XLogP2.77
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.77
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-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289689
4-decoxybenzonitrile
CID 19021371
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
4-[3-(3,3-dimethylbutoxy)propoxy]benzonitrile
CID 66233382
1-[2-(2-butoxyethoxy)ethoxy]-4-[2-(4-ethynylphenyl)ethynyl]benzene
CID 23626178
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile (CID 43289691) is 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile is CCCCOCCOCCOc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile?
The InChIKey is HCHUAOHIFOWSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-8-17-9-10-18-11-12-19-15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile?
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile has a molecular weight of 263.34 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butoxyethoxy)ethoxy]benzonitrile is sourced from PubChem (CID 43289691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).