2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone

C18H18FNO3 — CID 16894731

IUPAC2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO3/c19-15-6-8-16(9-7-15)23-13-18(21)20-10-11-22-17(12-20)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyYNJNLGVFXQUDTH-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone

2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone (PubChem CID 16894731) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone
PubChem CID16894731
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO3/c19-15-6-8-16(9-7-15)23-13-18(21)20-10-11-22-17(12-20)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyYNJNLGVFXQUDTH-UHFFFAOYSA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone (CID 16894731) is 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone is O=C(COc1ccc(F)cc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone?
The InChIKey is YNJNLGVFXQUDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-6-8-16(9-7-15)23-13-18(21)20-10-11-22-17(12-20)14-4-2-1-3-5-14/h1-9,17H,10-13H2.
What are the key properties of 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone?
2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone has a molecular weight of 315.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 16894731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).