4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde

C13H15NO4 — CID 894260

IUPAC4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H15NO4/c15-9-11-1-3-12(4-2-11)18-10-13(16)14-5-7-17-8-6-14/h1-4,9H,5-8,10H2
InChIKeyKHQZOOBUOHUYHO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.74
Rot. Bonds4

About 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde

4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (PubChem CID 894260) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
PubChem CID894260
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H15NO4/c15-9-11-1-3-12(4-2-11)18-10-13(16)14-5-7-17-8-6-14/h1-4,9H,5-8,10H2
InChIKeyKHQZOOBUOHUYHO-UHFFFAOYSA-N
XLogP0.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.74
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 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (CID 894260) is 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is O=Cc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The InChIKey is KHQZOOBUOHUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-9-11-1-3-12(4-2-11)18-10-13(16)14-5-7-17-8-6-14/h1-4,9H,5-8,10H2.
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde has a molecular weight of 249.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is sourced from PubChem (CID 894260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).