1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one

C14H18BrNO2 — CID 138971082

IUPAC1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C14H18BrNO2/c1-2-13(16-7-9-18-10-8-16)14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyOMFZLJUXWWMELF-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one

1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one (PubChem CID 138971082) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one
PubChem CID138971082
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C14H18BrNO2/c1-2-13(16-7-9-18-10-8-16)14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyOMFZLJUXWWMELF-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one (CID 138971082) is 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one is CCC(C(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is OMFZLJUXWWMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-13(16-7-9-18-10-8-16)14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one?
1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 312.21 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 138971082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).