2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone

C13H16ClNO3 — CID 52985807

IUPAC2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H16ClNO3/c1-10-8-15(6-7-17-10)13(16)9-18-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyKAVAIIVQGXNUMD-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone

2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 52985807) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID52985807
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H16ClNO3/c1-10-8-15(6-7-17-10)13(16)9-18-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyKAVAIIVQGXNUMD-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
2-[4-(aminomethyl)phenoxy]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62988279
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
2-(4-chlorophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 91776713

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone (CID 52985807) is 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)COc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is KAVAIIVQGXNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-10-8-15(6-7-17-10)13(16)9-18-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 52985807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).