4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one

C13H16BrNO3 — CID 117008868

IUPAC4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one
SMILESO=C1COC(CCCO)CN1c1ccccc1Br
InChIInChI=1S/C13H16BrNO3/c14-11-5-1-2-6-12(11)15-8-10(4-3-7-16)18-9-13(15)17/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyQCKNEAXLKYJSCW-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.95
Rot. Bonds4

About 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one

4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one (PubChem CID 117008868) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one
PubChem CID117008868
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one
SMILESO=C1COC(CCCO)CN1c1ccccc1Br
InChIInChI=1S/C13H16BrNO3/c14-11-5-1-2-6-12(11)15-8-10(4-3-7-16)18-9-13(15)17/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyQCKNEAXLKYJSCW-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008859
6-(2-hydroxyethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067675
6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067566
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
2-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzonitrile
CID 117008949
4-(4-bromo-3-methylphenyl)-6-(hydroxymethyl)morpholin-3-one
CID 117009003
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
CID 115060311

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
The IUPAC name of 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one (CID 117008868) is 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one.
What is the SMILES notation for 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
The canonical SMILES for 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one is O=C1COC(CCCO)CN1c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
The InChIKey is QCKNEAXLKYJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-11-5-1-2-6-12(11)15-8-10(4-3-7-16)18-9-13(15)17/h1-2,5-6,10,16H,3-4,7-9H2.
What are the key properties of 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one has a molecular weight of 314.18 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one is sourced from PubChem (CID 117008868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).