[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone

C18H18FNO3 — CID 46041108

IUPAC[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3/c19-15-6-8-16(9-7-15)23-13-17-12-20(10-11-22-17)18(21)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyOAGPBOATNXAAIR-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.75
Rot. Bonds4

About [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone

[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone (PubChem CID 46041108) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
PubChem CID46041108
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3/c19-15-6-8-16(9-7-15)23-13-17-12-20(10-11-22-17)18(21)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyOAGPBOATNXAAIR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone (CID 46041108) is [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCOC(COc2ccc(F)cc2)C1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone?
The InChIKey is OAGPBOATNXAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-6-8-16(9-7-15)23-13-17-12-20(10-11-22-17)18(21)14-4-2-1-3-5-14/h1-9,17H,10-13H2.
What are the key properties of [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone?
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone has a molecular weight of 315.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 46041108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).