3-(2-formylphenoxy)benzonitrile

C14H9NO2 — CID 28603906

IUPAC3-(2-formylphenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2ccccc2C=O)c1
InChIInChI=1S/C14H9NO2/c15-9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16/h1-8,10H
InChIKeyOHEUSOHVXWKDOX-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-formylphenoxy)benzonitrile

3-(2-formylphenoxy)benzonitrile (PubChem CID 28603906) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-formylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-(2-formylphenoxy)benzonitrile
PubChem CID28603906
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-(2-formylphenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2ccccc2C=O)c1
InChIInChI=1S/C14H9NO2/c15-9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16/h1-8,10H
InChIKeyOHEUSOHVXWKDOX-UHFFFAOYSA-N
XLogP3.16
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methanimidoylphenoxy)benzonitrile
CID 145120162
N-[2-(3-cyanophenoxy)phenyl]formamide
CID 168652990
3-(2-chlorophenoxy)benzonitrile
CID 22148146
2-fluoro-5-(2-formylphenoxy)benzonitrile
CID 90204991
3-(4-formylphenoxy)benzonitrile
CID 13238539
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
3-(2-nitrophenoxy)benzonitrile
CID 9194888
3-(2-methylsulfanylphenoxy)benzonitrile
CID 102818123
3-[(5-formyl-2,4-dimethyl-3-pyridinyl)oxy]benzonitrile
CID 58636852
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744

Frequently Asked Questions

What is the IUPAC name of 3-(2-formylphenoxy)benzonitrile?
The IUPAC name of 3-(2-formylphenoxy)benzonitrile (CID 28603906) is 3-(2-formylphenoxy)benzonitrile.
What is the SMILES notation for 3-(2-formylphenoxy)benzonitrile?
The canonical SMILES for 3-(2-formylphenoxy)benzonitrile is N#Cc1cccc(Oc2ccccc2C=O)c1.
What is the InChIKey of 3-(2-formylphenoxy)benzonitrile?
The InChIKey is OHEUSOHVXWKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16/h1-8,10H.
What are the key properties of 3-(2-formylphenoxy)benzonitrile?
3-(2-formylphenoxy)benzonitrile has a molecular weight of 223.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formylphenoxy)benzonitrile is sourced from PubChem (CID 28603906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).