3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde

C14H13NO3 — CID 759793

IUPAC3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccncc1
InChIInChI=1S/C14H13NO3/c1-17-14-8-12(9-16)2-3-13(14)18-10-11-4-6-15-7-5-11/h2-9H,10H2,1H3
InChIKeyJSFYMQUBZVFHHJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.48
Rot. Bonds5

About 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde

3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde (PubChem CID 759793) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
PubChem CID759793
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccncc1
InChIInChI=1S/C14H13NO3/c1-17-14-8-12(9-16)2-3-13(14)18-10-11-4-6-15-7-5-11/h2-9H,10H2,1H3
InChIKeyJSFYMQUBZVFHHJ-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde (CID 759793) is 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde is COc1cc(C=O)ccc1OCc1ccncc1.
What is the InChIKey of 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde?
The InChIKey is JSFYMQUBZVFHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-14-8-12(9-16)2-3-13(14)18-10-11-4-6-15-7-5-11/h2-9H,10H2,1H3.
What are the key properties of 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde?
3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde is sourced from PubChem (CID 759793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).