1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone

C14H16Cl3NO3 — CID 55571550

IUPAC1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone
SMILESCCC1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H16Cl3NO3/c1-2-9-7-18(3-4-20-9)14(19)8-21-13-6-11(16)10(15)5-12(13)17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBZNAAPCRILJOHU-UHFFFAOYSA-N
MW352.65 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone

1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone (PubChem CID 55571550) has the molecular formula C14H16Cl3NO3 and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone
PubChem CID55571550
Molecular FormulaC14H16Cl3NO3
Molecular Weight352.65 g/mol
Exact Mass351.02
IUPAC Name1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone
SMILESCCC1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H16Cl3NO3/c1-2-9-7-18(3-4-20-9)14(19)8-21-13-6-11(16)10(15)5-12(13)17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBZNAAPCRILJOHU-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 81196889
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 115966082
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 107224280
1-[3-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119492518
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 119398073
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 43391732
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 81197403
1-[4-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 119563145
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119647507

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone (CID 55571550) is 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone is CCC1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone?
The InChIKey is BZNAAPCRILJOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO3/c1-2-9-7-18(3-4-20-9)14(19)8-21-13-6-11(16)10(15)5-12(13)17/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone?
1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone has a molecular weight of 352.65 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone is sourced from PubChem (CID 55571550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).