4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one

C13H16FNO4 — CID 177176398

IUPAC4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one
SMILESO=C1COCCN1CCCOc1ccc(O)c(F)c1
InChIInChI=1S/C13H16FNO4/c14-11-8-10(2-3-12(11)16)19-6-1-4-15-5-7-18-9-13(15)17/h2-3,8,16H,1,4-7,9H2
InChIKeyDALBYVVPGIJAKZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.16
Rot. Bonds5

About 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one

4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one (PubChem CID 177176398) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one
PubChem CID177176398
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one
SMILESO=C1COCCN1CCCOc1ccc(O)c(F)c1
InChIInChI=1S/C13H16FNO4/c14-11-8-10(2-3-12(11)16)19-6-1-4-15-5-7-18-9-13(15)17/h2-3,8,16H,1,4-7,9H2
InChIKeyDALBYVVPGIJAKZ-UHFFFAOYSA-N
XLogP1.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-bromophenoxy)propyl]morpholin-3-one
CID 86698692
4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
CID 155587801
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzonitrile
CID 79468674
4-[2-[3-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79469073
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
CID 79468409
4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one
CID 79468596
4-[2-(4-fluorophenoxy)ethyl]-1,4-oxazepan-5-one
CID 72940136
1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
CID 39367532
4-(3-fluoro-4-hydroxyphenyl)morpholine-3,5-dione
CID 64781864
2-(3-oxomorpholin-4-yl)ethanolate
CID 142382646
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79468945
4-(3-azidopropyl)morpholin-3-one
CID 79468398

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one?
The IUPAC name of 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one (CID 177176398) is 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one?
The canonical SMILES for 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one is O=C1COCCN1CCCOc1ccc(O)c(F)c1.
What is the InChIKey of 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one?
The InChIKey is DALBYVVPGIJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-11-8-10(2-3-12(11)16)19-6-1-4-15-5-7-18-9-13(15)17/h2-3,8,16H,1,4-7,9H2.
What are the key properties of 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one?
4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one has a molecular weight of 269.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-hydroxyphenoxy)propyl]morpholin-3-one is sourced from PubChem (CID 177176398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).