1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one

C13H16BrNO2 — CID 567715

IUPAC1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-4H,5-10H2
InChIKeyLEVUOWPKAZBDFW-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one

1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 567715) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one
PubChem CID567715
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-4H,5-10H2
InChIKeyLEVUOWPKAZBDFW-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one (CID 567715) is 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is LEVUOWPKAZBDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-4H,5-10H2.
What are the key properties of 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one?
1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 298.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 567715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).