1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride

C13H19BrClNO3 — CID 2999825

IUPAC1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
SMILESOC(COc1ccc(Br)cc1)CN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C13H18BrNO3.ClH/c14-11-1-3-13(4-2-11)18-10-12(16)9-15-5-7-17-8-6-15;/h1-4,12,16H,5-10H2;1H
InChIKeyRBCWZCMCMBEBRT-UHFFFAOYSA-N
MW352.66 g/mol
LogP-1.36
Rot. Bonds5

About 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride

1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride (PubChem CID 2999825) has the molecular formula C13H19BrClNO3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
PubChem CID2999825
Molecular FormulaC13H19BrClNO3
Molecular Weight352.66 g/mol
Exact Mass351.02
IUPAC Name1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
SMILESOC(COc1ccc(Br)cc1)CN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C13H18BrNO3.ClH/c14-11-1-3-13(4-2-11)18-10-12(16)9-15-5-7-17-8-6-15;/h1-4,12,16H,5-10H2;1H
InChIKeyRBCWZCMCMBEBRT-UHFFFAOYSA-N
XLogP-1.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 5-1.36
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-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
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-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 75432775
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
(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-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride?
The IUPAC name of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride (CID 2999825) is 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride.
What is the SMILES notation for 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride?
The canonical SMILES for 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride is OC(COc1ccc(Br)cc1)CN1CCOCC1.[Cl-].[H+].
What is the InChIKey of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride?
The InChIKey is RBCWZCMCMBEBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3.ClH/c14-11-1-3-13(4-2-11)18-10-12(16)9-15-5-7-17-8-6-15;/h1-4,12,16H,5-10H2;1H.
What are the key properties of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride?
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride has a molecular weight of 352.66 g/mol, XLogP of -1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride is sourced from PubChem (CID 2999825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).