2-chloro-1-(4-morpholin-4-ylphenyl)ethanone

C12H14ClNO2 — CID 130136658

IUPAC2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
SMILESO=C(CCl)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H14ClNO2/c13-9-12(15)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyFYCIYBYOGMCQOT-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.94
Rot. Bonds3

About 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone

2-chloro-1-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 130136658) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
PubChem CID130136658
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
SMILESO=C(CCl)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H14ClNO2/c13-9-12(15)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyFYCIYBYOGMCQOT-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 54215076
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
1-(4-morpholin-4-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 75486984
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
CID 84580719
3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 59941203
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-morpholin-4-ylphenyl)ethanone
CID 87584773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone (CID 130136658) is 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone is O=C(CCl)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone?
The InChIKey is FYCIYBYOGMCQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-9-12(15)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4H,5-9H2.
What are the key properties of 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone?
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 239.70 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 130136658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).