3-(2-ethenoxyethoxy)benzonitrile

C11H11NO2 — CID 66734813

IUPAC3-(2-ethenoxyethoxy)benzonitrile
SMILESC=COCCOc1cccc(C#N)c1
InChIInChI=1S/C11H11NO2/c1-2-13-6-7-14-11-5-3-4-10(8-11)9-12/h2-5,8H,1,6-7H2
InChIKeyKKDXEOLWFACQED-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.10
Rot. Bonds5

About 3-(2-ethenoxyethoxy)benzonitrile

3-(2-ethenoxyethoxy)benzonitrile (PubChem CID 66734813) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-ethenoxyethoxy)benzonitrile.

Molecular Properties

Compound Name3-(2-ethenoxyethoxy)benzonitrile
PubChem CID66734813
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(2-ethenoxyethoxy)benzonitrile
SMILESC=COCCOc1cccc(C#N)c1
InChIInChI=1S/C11H11NO2/c1-2-13-6-7-14-11-5-3-4-10(8-11)9-12/h2-5,8H,1,6-7H2
InChIKeyKKDXEOLWFACQED-UHFFFAOYSA-N
XLogP2.10
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-but-3-enoxyethoxy)benzonitrile
CID 43289826
1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene
CID 140750024
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
3-ethenoxybenzonitrile
CID 11788364
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
3-(6-bromohexoxy)benzonitrile
CID 13450889
3-[2-(2,4,6-triiodophenoxy)ethoxy]benzonitrile
CID 63514562
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
3-pent-3-ynoxybenzonitrile
CID 104743889
3-[2-(3-methylbutoxy)ethoxy]benzonitrile
CID 43289461

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethoxy)benzonitrile?
The IUPAC name of 3-(2-ethenoxyethoxy)benzonitrile (CID 66734813) is 3-(2-ethenoxyethoxy)benzonitrile.
What is the SMILES notation for 3-(2-ethenoxyethoxy)benzonitrile?
The canonical SMILES for 3-(2-ethenoxyethoxy)benzonitrile is C=COCCOc1cccc(C#N)c1.
What is the InChIKey of 3-(2-ethenoxyethoxy)benzonitrile?
The InChIKey is KKDXEOLWFACQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-13-6-7-14-11-5-3-4-10(8-11)9-12/h2-5,8H,1,6-7H2.
What are the key properties of 3-(2-ethenoxyethoxy)benzonitrile?
3-(2-ethenoxyethoxy)benzonitrile has a molecular weight of 189.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethoxy)benzonitrile is sourced from PubChem (CID 66734813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).