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

C13H14BrNO4 — CID 4288065

IUPAC3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C13H14BrNO4/c14-11-7-10(8-16)1-2-12(11)19-9-13(17)15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2
InChIKeySLUZUIWCAKABPH-UHFFFAOYSA-N
MW328.16 g/mol
LogP1.50
Rot. Bonds4

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

3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (PubChem CID 4288065) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
PubChem CID4288065
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C13H14BrNO4/c14-11-7-10(8-16)1-2-12(11)19-9-13(17)15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2
InChIKeySLUZUIWCAKABPH-UHFFFAOYSA-N
XLogP1.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126384851
2-[2-bromo-4-[(4-tert-butylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126375425
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
2-[2-bromo-4-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126383418
(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 124551263
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The IUPAC name of 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (CID 4288065) is 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is O=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The InChIKey is SLUZUIWCAKABPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4/c14-11-7-10(8-16)1-2-12(11)19-9-13(17)15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2.
What are the key properties of 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde has a molecular weight of 328.16 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is sourced from PubChem (CID 4288065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).