3-(2-methanimidoylphenoxy)benzonitrile

C14H10N2O — CID 145120162

IUPAC3-(2-methanimidoylphenoxy)benzonitrile
SMILES[H]/N=C/c1ccccc1Oc1cccc(C#N)c1
InChIInChI=1S/C14H10N2O/c15-9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16/h1-8,10,16H/b16-10+
InChIKeyKOOIAOKBJYGCCH-MHWRWJLKSA-N
MW222.25 g/mol
LogP3.35
Rot. Bonds3

About 3-(2-methanimidoylphenoxy)benzonitrile

3-(2-methanimidoylphenoxy)benzonitrile (PubChem CID 145120162) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(2-methanimidoylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-(2-methanimidoylphenoxy)benzonitrile
PubChem CID145120162
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-(2-methanimidoylphenoxy)benzonitrile
SMILES[H]/N=C/c1ccccc1Oc1cccc(C#N)c1
InChIInChI=1S/C14H10N2O/c15-9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16/h1-8,10,16H/b16-10+
InChIKeyKOOIAOKBJYGCCH-MHWRWJLKSA-N
XLogP3.35
TPSA56.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(2-methanimidoylphenoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-formylphenoxy)benzonitrile
CID 28603906
3-(2-chlorophenoxy)benzonitrile
CID 22148146
N-[2-(3-cyanophenoxy)phenyl]formamide
CID 168652990
3-(2-methylsulfanylphenoxy)benzonitrile
CID 102818123
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
3-(2-nitrophenoxy)benzonitrile
CID 9194888
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
CID 2243607
3-[2-[(1S)-1-aminopropyl]phenoxy]benzonitrile
CID 103959200
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533

Frequently Asked Questions

What is the IUPAC name of 3-(2-methanimidoylphenoxy)benzonitrile?
The IUPAC name of 3-(2-methanimidoylphenoxy)benzonitrile (CID 145120162) is 3-(2-methanimidoylphenoxy)benzonitrile.
What is the SMILES notation for 3-(2-methanimidoylphenoxy)benzonitrile?
The canonical SMILES for 3-(2-methanimidoylphenoxy)benzonitrile is [H]/N=C/c1ccccc1Oc1cccc(C#N)c1.
What is the InChIKey of 3-(2-methanimidoylphenoxy)benzonitrile?
The InChIKey is KOOIAOKBJYGCCH-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H10N2O/c15-9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16/h1-8,10,16H/b16-10+.
What are the key properties of 3-(2-methanimidoylphenoxy)benzonitrile?
3-(2-methanimidoylphenoxy)benzonitrile has a molecular weight of 222.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methanimidoylphenoxy)benzonitrile is sourced from PubChem (CID 145120162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).