3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C14H18FNO4 — CID 81209418

IUPAC3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCOC(CO)C1
InChIInChI=1S/C14H18FNO4/c15-11-1-3-12(4-2-11)19-7-5-14(18)16-6-8-20-13(9-16)10-17/h1-4,13,17H,5-10H2
InChIKeyRTLYLJPFWSMGSI-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.81
Rot. Bonds5

About 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81209418) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81209418
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCOC(CO)C1
InChIInChI=1S/C14H18FNO4/c15-11-1-3-12(4-2-11)19-7-5-14(18)16-6-8-20-13(9-16)10-17/h1-4,13,17H,5-10H2
InChIKeyRTLYLJPFWSMGSI-UHFFFAOYSA-N
XLogP0.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
3-(4-fluorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370418
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(4-fluorophenoxy)propan-1-one
CID 119636122
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
3-(4-fluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395905

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81209418) is 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is O=C(CCOc1ccc(F)cc1)N1CCOC(CO)C1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is RTLYLJPFWSMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c15-11-1-3-12(4-2-11)19-7-5-14(18)16-6-8-20-13(9-16)10-17/h1-4,13,17H,5-10H2.
What are the key properties of 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 283.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81209418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).