4-[3-(4-bromophenoxy)propyl]morpholin-3-one

C13H16BrNO3 — CID 86698692

IUPAC4-[3-(4-bromophenoxy)propyl]morpholin-3-one
SMILESO=C1COCCN1CCCOc1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO3/c14-11-2-4-12(5-3-11)18-8-1-6-15-7-9-17-10-13(15)16/h2-5H,1,6-10H2
InChIKeyDOPCMPVDGCWYMX-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.08
Rot. Bonds5

About 4-[3-(4-bromophenoxy)propyl]morpholin-3-one

4-[3-(4-bromophenoxy)propyl]morpholin-3-one (PubChem CID 86698692) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-[3-(4-bromophenoxy)propyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(4-bromophenoxy)propyl]morpholin-3-one
PubChem CID86698692
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name4-[3-(4-bromophenoxy)propyl]morpholin-3-one
SMILESO=C1COCCN1CCCOc1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO3/c14-11-2-4-12(5-3-11)18-8-1-6-15-7-9-17-10-13(15)16/h2-5H,1,6-10H2
InChIKeyDOPCMPVDGCWYMX-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one
CID 177176398
4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
CID 54970412
4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
CID 155587801
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzonitrile
CID 79468674
1-[3-(4-bromophenoxy)propyl]pyrrolidine-2,5-dione
CID 94720437
4-[2-[3-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79469073
4-[2-(4-fluorophenoxy)ethyl]-1,4-oxazepan-5-one
CID 72940136
4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one
CID 79468596
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
CID 79468409
2-(3-oxomorpholin-4-yl)ethanolate
CID 142382646
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79468945

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenoxy)propyl]morpholin-3-one?
The IUPAC name of 4-[3-(4-bromophenoxy)propyl]morpholin-3-one (CID 86698692) is 4-[3-(4-bromophenoxy)propyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(4-bromophenoxy)propyl]morpholin-3-one?
The canonical SMILES for 4-[3-(4-bromophenoxy)propyl]morpholin-3-one is O=C1COCCN1CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-[3-(4-bromophenoxy)propyl]morpholin-3-one?
The InChIKey is DOPCMPVDGCWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-11-2-4-12(5-3-11)18-8-1-6-15-7-9-17-10-13(15)16/h2-5H,1,6-10H2.
What are the key properties of 4-[3-(4-bromophenoxy)propyl]morpholin-3-one?
4-[3-(4-bromophenoxy)propyl]morpholin-3-one has a molecular weight of 314.18 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenoxy)propyl]morpholin-3-one is sourced from PubChem (CID 86698692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).