5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde

C15H17NO4 — CID 57220321

IUPAC5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde
SMILESCC(Oc1ccc2oc(C=O)cc2c1)N1CCOCC1
InChIInChI=1S/C15H17NO4/c1-11(16-4-6-18-7-5-16)19-13-2-3-15-12(8-13)9-14(10-17)20-15/h2-3,8-11H,4-7H2,1H3
InChIKeyHAJKWYIBKNAQJC-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.30
Rot. Bonds4

About 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde

5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde (PubChem CID 57220321) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde
PubChem CID57220321
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde
SMILESCC(Oc1ccc2oc(C=O)cc2c1)N1CCOCC1
InChIInChI=1S/C15H17NO4/c1-11(16-4-6-18-7-5-16)19-13-2-3-15-12(8-13)9-14(10-17)20-15/h2-3,8-11H,4-7H2,1H3
InChIKeyHAJKWYIBKNAQJC-UHFFFAOYSA-N
XLogP2.30
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[7-(1-morpholin-4-ylethoxy)dibenzofuran-2-yl]oxyethyl]morpholine;dihydrochloride
CID 141034719
7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid
CID 89239885
4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
CID 13048630
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
CID 1363274
3-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037081

Frequently Asked Questions

What is the IUPAC name of 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde (CID 57220321) is 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde is CC(Oc1ccc2oc(C=O)cc2c1)N1CCOCC1.
What is the InChIKey of 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde?
The InChIKey is HAJKWYIBKNAQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11(16-4-6-18-7-5-16)19-13-2-3-15-12(8-13)9-14(10-17)20-15/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde?
5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde has a molecular weight of 275.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 57220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).