3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde

C15H18N2O3 — CID 66154715

IUPAC3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1cncn1CC
InChIInChI=1S/C15H18N2O3/c1-3-17-11-16-8-13(17)10-20-15-12(9-18)6-5-7-14(15)19-4-2/h5-9,11H,3-4,10H2,1-2H3
InChIKeyCKSOTBSPAWSTGD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.69
Rot. Bonds7

About 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde

3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde (PubChem CID 66154715) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
PubChem CID66154715
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1cncn1CC
InChIInChI=1S/C15H18N2O3/c1-3-17-11-16-8-13(17)10-20-15-12(9-18)6-5-7-14(15)19-4-2/h5-9,11H,3-4,10H2,1-2H3
InChIKeyCKSOTBSPAWSTGD-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.69
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 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde (CID 66154715) is 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde is CCOc1cccc(C=O)c1OCc1cncn1CC.
What is the InChIKey of 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde?
The InChIKey is CKSOTBSPAWSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17-11-16-8-13(17)10-20-15-12(9-18)6-5-7-14(15)19-4-2/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde?
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 66154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).