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

C13H16ClNO3 — CID 117008859

IUPAC4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
SMILESO=C1COC(CCCO)CN1c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3/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
InChIKeySDEFTNJMHVXDAD-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.84
Rot. Bonds4

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

4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one (PubChem CID 117008859) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
PubChem CID117008859
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
SMILESO=C1COC(CCCO)CN1c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3/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
InChIKeySDEFTNJMHVXDAD-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-6-(3-hydroxypropyl)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

4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008868
6-(2-hydroxyethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067675
6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067566
6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
CID 115060311
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710154
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
2-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzonitrile
CID 117008949
3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064794
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
The IUPAC name of 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one (CID 117008859) is 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
The canonical SMILES for 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one is O=C1COC(CCCO)CN1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
The InChIKey is SDEFTNJMHVXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/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-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one?
4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one has a molecular weight of 269.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one is sourced from PubChem (CID 117008859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).