2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde

C21H17NO4 — CID 614821

IUPAC2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1cccc(COc2ccccc2C=O)n1
InChIInChI=1S/C21H17NO4/c23-12-16-6-1-3-10-20(16)25-14-18-8-5-9-19(22-18)15-26-21-11-4-2-7-17(21)13-24/h1-13H,14-15H2
InChIKeyUOXYFPDMCLNCND-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.86
Rot. Bonds8

About 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde

2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde (PubChem CID 614821) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde
PubChem CID614821
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1cccc(COc2ccccc2C=O)n1
InChIInChI=1S/C21H17NO4/c23-12-16-6-1-3-10-20(16)25-14-18-8-5-9-19(22-18)15-26-21-11-4-2-7-17(21)13-24/h1-13H,14-15H2
InChIKeyUOXYFPDMCLNCND-UHFFFAOYSA-N
XLogP3.86
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde (CID 614821) is 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde is O=Cc1ccccc1OCc1cccc(COc2ccccc2C=O)n1.
What is the InChIKey of 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde?
The InChIKey is UOXYFPDMCLNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-12-16-6-1-3-10-20(16)25-14-18-8-5-9-19(22-18)15-26-21-11-4-2-7-17(21)13-24/h1-13H,14-15H2.
What are the key properties of 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde?
2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde has a molecular weight of 347.37 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-formylphenoxy)methyl]-2-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 614821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).