1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol

C13H16Br3NO3 — CID 660609

IUPAC1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
SMILESOC(COc1c(Br)cc(Br)cc1Br)CN1CCOCC1
InChIInChI=1S/C13H16Br3NO3/c14-9-5-11(15)13(12(16)6-9)20-8-10(18)7-17-1-3-19-4-2-17/h5-6,10,18H,1-4,7-8H2
InChIKeyNUSGPBORWJKKHC-UHFFFAOYSA-N
MW473.99 g/mol
LogP3.05
Rot. Bonds5

About 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol

1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol (PubChem CID 660609) has the molecular formula C13H16Br3NO3 and a molecular weight of 473.99 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
PubChem CID660609
Molecular FormulaC13H16Br3NO3
Molecular Weight473.99 g/mol
Exact Mass470.87
IUPAC Name1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
SMILESOC(COc1c(Br)cc(Br)cc1Br)CN1CCOCC1
InChIInChI=1S/C13H16Br3NO3/c14-9-5-11(15)13(12(16)6-9)20-8-10(18)7-17-1-3-19-4-2-17/h5-6,10,18H,1-4,7-8H2
InChIKeyNUSGPBORWJKKHC-UHFFFAOYSA-N
XLogP3.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol with MolForge

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Related Compounds

1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 75432775
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912
(2R)-1-(azepan-1-yl)-3-[4-[2-[4-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]-3,5-dibromophenyl]propan-2-yl]-2,6-dibromophenoxy]propan-2-ol
CID 99652347
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
3-(2-hydroxy-3-morpholin-4-ylpropoxy)-2,6-dimethyl-1H-pyridin-4-one
CID 139633094
(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
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol (CID 660609) is 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol is OC(COc1c(Br)cc(Br)cc1Br)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol?
The InChIKey is NUSGPBORWJKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO3/c14-9-5-11(15)13(12(16)6-9)20-8-10(18)7-17-1-3-19-4-2-17/h5-6,10,18H,1-4,7-8H2.
What are the key properties of 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol?
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol has a molecular weight of 473.99 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol is sourced from PubChem (CID 660609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).