2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone

C13H15Cl2NO3 — CID 75765846

IUPAC2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
SMILESCC1COCCN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-9-7-18-5-4-16(9)13(17)8-19-12-3-2-10(14)6-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyBEYJVFCUIQMJQD-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.62
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone (PubChem CID 75765846) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
PubChem CID75765846
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
SMILESCC1COCCN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-9-7-18-5-4-16(9)13(17)8-19-12-3-2-10(14)6-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyBEYJVFCUIQMJQD-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-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 110740156
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739797
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888294
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 120810484
1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110631141
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone (CID 75765846) is 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone is CC1COCCN1C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone?
The InChIKey is BEYJVFCUIQMJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-9-7-18-5-4-16(9)13(17)8-19-12-3-2-10(14)6-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(3-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-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 75765846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).