2-[(4-formylphenoxy)methyl]benzonitrile

C15H11NO2 — CID 885329

IUPAC2-[(4-formylphenoxy)methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccc(C=O)cc1
InChIInChI=1S/C15H11NO2/c16-9-13-3-1-2-4-14(13)11-18-15-7-5-12(10-17)6-8-15/h1-8,10H,11H2
InChIKeyLKQUWXAECCEVJJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.95
Rot. Bonds4

About 2-[(4-formylphenoxy)methyl]benzonitrile

2-[(4-formylphenoxy)methyl]benzonitrile (PubChem CID 885329) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(4-formylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-formylphenoxy)methyl]benzonitrile
PubChem CID885329
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-[(4-formylphenoxy)methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccc(C=O)cc1
InChIInChI=1S/C15H11NO2/c16-9-13-3-1-2-4-14(13)11-18-15-7-5-12(10-17)6-8-15/h1-8,10H,11H2
InChIKeyLKQUWXAECCEVJJ-UHFFFAOYSA-N
XLogP2.95
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-formylphenoxy)methyl]benzonitrile?
The IUPAC name of 2-[(4-formylphenoxy)methyl]benzonitrile (CID 885329) is 2-[(4-formylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-formylphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-[(4-formylphenoxy)methyl]benzonitrile is N#Cc1ccccc1COc1ccc(C=O)cc1.
What is the InChIKey of 2-[(4-formylphenoxy)methyl]benzonitrile?
The InChIKey is LKQUWXAECCEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-9-13-3-1-2-4-14(13)11-18-15-7-5-12(10-17)6-8-15/h1-8,10H,11H2.
What are the key properties of 2-[(4-formylphenoxy)methyl]benzonitrile?
2-[(4-formylphenoxy)methyl]benzonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-formylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 885329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).