4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one

C12H14BrNO3 — CID 117008421

IUPAC4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one
SMILESO=C1C(CCO)OCCN1c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO3/c13-9-2-1-3-10(8-9)14-5-7-17-11(4-6-15)12(14)16/h1-3,8,11,15H,4-7H2
InChIKeyOYLOZNGEIOFAOK-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.56
Rot. Bonds3

About 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one

4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one (PubChem CID 117008421) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one
PubChem CID117008421
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one
SMILESO=C1C(CCO)OCCN1c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO3/c13-9-2-1-3-10(8-9)14-5-7-17-11(4-6-15)12(14)16/h1-3,8,11,15H,4-7H2
InChIKeyOYLOZNGEIOFAOK-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(2-hydroxyethyl)-3-oxomorpholin-4-yl]benzonitrile
CID 117008427
2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 117008495
4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008392
4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008639
2-(hydroxymethyl)-4-phenylmorpholin-3-one
CID 117008608
4-(3-bromophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3857832
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
2-[4-(3-bromophenyl)-3-oxo-1,4-diazepan-2-yl]acetic acid
CID 84607566
3-(3-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808182
ethyl 1-(3-bromophenyl)-2-oxopiperidine-3-carboxylate
CID 167483271

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one (CID 117008421) is 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one is O=C1C(CCO)OCCN1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is OYLOZNGEIOFAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-9-2-1-3-10(8-9)14-5-7-17-11(4-6-15)12(14)16/h1-3,8,11,15H,4-7H2.
What are the key properties of 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one?
4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 300.15 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 117008421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).