2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone

C13H15Cl2NO3 — CID 110309986

IUPAC2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C13H15Cl2NO3/c1-9-7-16(4-5-18-9)13(17)8-19-12-6-10(14)2-3-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyWEPIQPMYYMTVKC-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.62
Rot. Bonds3

About 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone

2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 110309986) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID110309986
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C13H15Cl2NO3/c1-9-7-16(4-5-18-9)13(17)8-19-12-6-10(14)2-3-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyWEPIQPMYYMTVKC-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55672943
1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
1-[2-(2,5-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119009
2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 107014045
2-(2,5-dichlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538465
2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 110740156
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
2-(2,5-dichlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119394834
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone (CID 110309986) is 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is WEPIQPMYYMTVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-9-7-16(4-5-18-9)13(17)8-19-12-6-10(14)2-3-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone?
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 304.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110309986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).