2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one

C20H21NO4 — CID 3059680

IUPAC2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1cccc(C(=O)c2ccccc2)c1)C(=O)N1CCOCC1
InChIInChI=1S/C20H21NO4/c1-15(20(23)21-10-12-24-13-11-21)25-18-9-5-8-17(14-18)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyRFWZZNQMRLRIKJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.54
Rot. Bonds5

About 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one

2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 3059680) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID3059680
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1cccc(C(=O)c2ccccc2)c1)C(=O)N1CCOCC1
InChIInChI=1S/C20H21NO4/c1-15(20(23)21-10-12-24-13-11-21)25-18-9-5-8-17(14-18)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyRFWZZNQMRLRIKJ-UHFFFAOYSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one (CID 3059680) is 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one is CC(Oc1cccc(C(=O)c2ccccc2)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is RFWZZNQMRLRIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-15(20(23)21-10-12-24-13-11-21)25-18-9-5-8-17(14-18)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one?
2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 339.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3059680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).