[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate

C15H19Cl2NO4 — CID 932357

IUPAC[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
SMILESC[C@H](CN1CCOCC1)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-11(9-18-4-6-20-7-5-18)22-15(19)10-21-14-3-2-12(16)8-13(14)17/h2-3,8,11H,4-7,9-10H2,1H3/t11-/m1/s1
InChIKeyOCPGNKKEFBWTNL-LLVKDONJSA-N
MW348.23 g/mol
LogP2.64
Rot. Bonds6

About [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate

[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 932357) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID932357
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
SMILESC[C@H](CN1CCOCC1)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-11(9-18-4-6-20-7-5-18)22-15(19)10-21-14-3-2-12(16)8-13(14)17/h2-3,8,11H,4-7,9-10H2,1H3/t11-/m1/s1
InChIKeyOCPGNKKEFBWTNL-LLVKDONJSA-N
XLogP2.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate (CID 932357) is [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate is C[C@H](CN1CCOCC1)OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is OCPGNKKEFBWTNL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-11(9-18-4-6-20-7-5-18)22-15(19)10-21-14-3-2-12(16)8-13(14)17/h2-3,8,11H,4-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 348.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 932357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).