1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone

C21H24ClNO4 — CID 60552824

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCOC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H24ClNO4/c1-2-12-25-18-7-9-19(10-8-18)27-15-21(24)23-11-13-26-20(14-23)16-3-5-17(22)6-4-16/h3-10,20H,2,11-15H2,1H3
InChIKeyLDIDMAVBHIDUCO-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.11
Rot. Bonds7

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone (PubChem CID 60552824) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
PubChem CID60552824
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCOC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H24ClNO4/c1-2-12-25-18-7-9-19(10-8-18)27-15-21(24)23-11-13-26-20(14-23)16-3-5-17(22)6-4-16/h3-10,20H,2,11-15H2,1H3
InChIKeyLDIDMAVBHIDUCO-UHFFFAOYSA-N
XLogP4.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 110364025
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134838
2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 55948526
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone (CID 60552824) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone is CCCOc1ccc(OCC(=O)N2CCOC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone?
The InChIKey is LDIDMAVBHIDUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-2-12-25-18-7-9-19(10-8-18)27-15-21(24)23-11-13-26-20(14-23)16-3-5-17(22)6-4-16/h3-10,20H,2,11-15H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone?
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone has a molecular weight of 389.88 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone is sourced from PubChem (CID 60552824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).