(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol

C13H18BrNO3 — CID 735568

IUPAC(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COc1ccc(Br)cc1)CN1CCOCC1
InChIInChI=1S/C13H18BrNO3/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/t12-/m0/s1
InChIKeyWFUHDRRJEHRDMS-LBPRGKRZSA-N
MW316.19 g/mol
LogP1.52
Rot. Bonds5

About (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol

(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 735568) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID735568
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COc1ccc(Br)cc1)CN1CCOCC1
InChIInChI=1S/C13H18BrNO3/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/t12-/m0/s1
InChIKeyWFUHDRRJEHRDMS-LBPRGKRZSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
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
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
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol (CID 735568) is (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol is O[C@H](COc1ccc(Br)cc1)CN1CCOCC1.
What is the InChIKey of (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is WFUHDRRJEHRDMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18BrNO3/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/t12-/m0/s1.
What are the key properties of (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol?
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 316.19 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 735568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).