4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione

C12H12BrNO4 — CID 54970412

IUPAC4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCOc1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO4/c13-9-1-3-10(4-2-9)18-6-5-14-11(15)7-17-8-12(14)16/h1-4H,5-8H2
InChIKeyXHICUGVICOMJMF-UHFFFAOYSA-N
MW314.13 g/mol
LogP1.21
Rot. Bonds4

About 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione

4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione (PubChem CID 54970412) has the molecular formula C12H12BrNO4 and a molecular weight of 314.13 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
PubChem CID54970412
Molecular FormulaC12H12BrNO4
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCOc1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO4/c13-9-1-3-10(4-2-9)18-6-5-14-11(15)7-17-8-12(14)16/h1-4H,5-8H2
InChIKeyXHICUGVICOMJMF-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione
CID 61312500
1-[3-(4-bromophenoxy)propyl]pyrrolidine-2,5-dione
CID 94720437
4-[3-(4-bromophenoxy)propyl]morpholin-3-one
CID 86698692
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180667
1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652330
2-[2-(4-bromophenoxy)ethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513805
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
3-[2-(3,5-dioxomorpholin-4-yl)ethoxy]benzenecarbothioamide
CID 61313300
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
3-[2-(4-bromophenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2421484

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione (CID 54970412) is 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione is O=C1COCC(=O)N1CCOc1ccc(Br)cc1.
What is the InChIKey of 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione?
The InChIKey is XHICUGVICOMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO4/c13-9-1-3-10(4-2-9)18-6-5-14-11(15)7-17-8-12(14)16/h1-4H,5-8H2.
What are the key properties of 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione?
4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione has a molecular weight of 314.13 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione is sourced from PubChem (CID 54970412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).