1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol

C13H17BrFNO3 — CID 75432775

IUPAC1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1cc(F)cc(Br)c1)CN1CCOCC1
InChIInChI=1S/C13H17BrFNO3/c14-10-5-11(15)7-13(6-10)19-9-12(17)8-16-1-3-18-4-2-16/h5-7,12,17H,1-4,8-9H2
InChIKeyHJRAJIVWEYRJOU-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.66
Rot. Bonds5

About 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol

1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 75432775) has the molecular formula C13H17BrFNO3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID75432775
Molecular FormulaC13H17BrFNO3
Molecular Weight334.19 g/mol
Exact Mass333.04
IUPAC Name1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1cc(F)cc(Br)c1)CN1CCOCC1
InChIInChI=1S/C13H17BrFNO3/c14-10-5-11(15)7-13(6-10)19-9-12(17)8-16-1-3-18-4-2-16/h5-7,12,17H,1-4,8-9H2
InChIKeyHJRAJIVWEYRJOU-UHFFFAOYSA-N
XLogP1.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 660609
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol (CID 75432775) is 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol is OC(COc1cc(F)cc(Br)c1)CN1CCOCC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is HJRAJIVWEYRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3/c14-10-5-11(15)7-13(6-10)19-9-12(17)8-16-1-3-18-4-2-16/h5-7,12,17H,1-4,8-9H2.
What are the key properties of 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol?
1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 334.19 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 75432775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).