(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone

C18H16Cl3NO3 — CID 7701309

IUPAC(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
SMILESO=C([C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H16Cl3NO3/c19-13-10-15(21)16(11-14(13)20)25-17(12-4-2-1-3-5-12)18(23)22-6-8-24-9-7-22/h1-5,10-11,17H,6-9H2/t17-/m1/s1
InChIKeyJFLZCWIAAFSPHF-QGZVFWFLSA-N
MW400.69 g/mol
LogP4.63
Rot. Bonds4

About (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone

(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone (PubChem CID 7701309) has the molecular formula C18H16Cl3NO3 and a molecular weight of 400.69 g/mol. Its IUPAC name is (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone.

Molecular Properties

Compound Name(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
PubChem CID7701309
Molecular FormulaC18H16Cl3NO3
Molecular Weight400.69 g/mol
Exact Mass399.02
IUPAC Name(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
SMILESO=C([C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H16Cl3NO3/c19-13-10-15(21)16(11-14(13)20)25-17(12-4-2-1-3-5-12)18(23)22-6-8-24-9-7-22/h1-5,10-11,17H,6-9H2/t17-/m1/s1
InChIKeyJFLZCWIAAFSPHF-QGZVFWFLSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 54.63
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

(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7700719
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700724
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700726
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8639042
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone
CID 40657737
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8913702
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782

Frequently Asked Questions

What is the IUPAC name of (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone?
The IUPAC name of (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone (CID 7701309) is (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone.
What is the SMILES notation for (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone?
The canonical SMILES for (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone is O=C([C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1)N1CCOCC1.
What is the InChIKey of (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone?
The InChIKey is JFLZCWIAAFSPHF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16Cl3NO3/c19-13-10-15(21)16(11-14(13)20)25-17(12-4-2-1-3-5-12)18(23)22-6-8-24-9-7-22/h1-5,10-11,17H,6-9H2/t17-/m1/s1.
What are the key properties of (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone?
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone has a molecular weight of 400.69 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone is sourced from PubChem (CID 7701309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).