2-[2-(3-cyanophenoxy)ethoxy]benzonitrile

C16H12N2O2 — CID 43289478

IUPAC2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCOc2ccccc2C#N)c1
InChIInChI=1S/C16H12N2O2/c17-11-13-4-3-6-15(10-13)19-8-9-20-16-7-2-1-5-14(16)12-18/h1-7,10H,8-9H2
InChIKeySVNAOGZXFRQQRS-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile

2-[2-(3-cyanophenoxy)ethoxy]benzonitrile (PubChem CID 43289478) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
PubChem CID43289478
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCOc2ccccc2C#N)c1
InChIInChI=1S/C16H12N2O2/c17-11-13-4-3-6-15(10-13)19-8-9-20-16-7-2-1-5-14(16)12-18/h1-7,10H,8-9H2
InChIKeySVNAOGZXFRQQRS-UHFFFAOYSA-N
XLogP2.89
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.89
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

3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
3-[2-(2-nitrophenoxy)ethoxy]benzonitrile
CID 51891677
3-[2-(2-propan-2-ylphenoxy)ethoxy]benzonitrile
CID 22681824
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile
CID 43289328
2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
3-(6-bromohexoxy)benzonitrile
CID 13450889
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
2-(3-chloropropoxy)benzonitrile
CID 14407183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile (CID 43289478) is 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile is N#Cc1cccc(OCCOc2ccccc2C#N)c1.
What is the InChIKey of 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile?
The InChIKey is SVNAOGZXFRQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-11-13-4-3-6-15(10-13)19-8-9-20-16-7-2-1-5-14(16)12-18/h1-7,10H,8-9H2.
What are the key properties of 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile?
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile has a molecular weight of 264.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyanophenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 43289478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).