2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one

C13H16ClNO3 — CID 3620543

IUPAC2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-10(13(16)15-6-8-17-9-7-15)18-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3
InChIKeyOPGUQMYEFFLZDT-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one

2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 3620543) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID3620543
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-10(13(16)15-6-8-17-9-7-15)18-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3
InChIKeyOPGUQMYEFFLZDT-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one (CID 3620543) is 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one is CC(Oc1ccccc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is OPGUQMYEFFLZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-10(13(16)15-6-8-17-9-7-15)18-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 269.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3620543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).