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

C14H17NO5 — CID 689833

IUPAC3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c1-18-13-8-11(9-16)2-3-12(13)20-10-14(17)15-4-6-19-7-5-15/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBQTSMYCTOXDRPF-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.75
Rot. Bonds5

About 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (PubChem CID 689833) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
PubChem CID689833
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c1-18-13-8-11(9-16)2-3-12(13)20-10-14(17)15-4-6-19-7-5-15/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBQTSMYCTOXDRPF-UHFFFAOYSA-N
XLogP0.75
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.75
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-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (CID 689833) is 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is COc1cc(C=O)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The InChIKey is BQTSMYCTOXDRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-13-8-11(9-16)2-3-12(13)20-10-14(17)15-4-6-19-7-5-15/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde has a molecular weight of 279.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is sourced from PubChem (CID 689833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).