3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride

C22H28BrCl2NO2 — CID 24748036

IUPAC3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H27BrClNO2.ClH/c1-2-11-22(26,18-5-7-19(23)8-6-18)21(16-25-12-14-27-15-13-25)17-3-9-20(24)10-4-17;/h3-10,21,26H,2,11-16H2,1H3;1H
InChIKeyOIDZNQGTTGEGLI-UHFFFAOYSA-N
MW489.28 g/mol
LogP5.63
Rot. Bonds7

About 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride

3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride (PubChem CID 24748036) has the molecular formula C22H28BrCl2NO2 and a molecular weight of 489.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
PubChem CID24748036
Molecular FormulaC22H28BrCl2NO2
Molecular Weight489.28 g/mol
Exact Mass487.07
IUPAC Name3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H27BrClNO2.ClH/c1-2-11-22(26,18-5-7-19(23)8-6-18)21(16-25-12-14-27-15-13-25)17-3-9-20(24)10-4-17;/h3-10,21,26H,2,11-16H2,1H3;1H
InChIKeyOIDZNQGTTGEGLI-UHFFFAOYSA-N
XLogP5.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.28
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
2-(2-Bromo-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
CID 10837160
1-(4-Chlorophenyl)-3-morpholino-2-phenylpropan-1-ol hydrochloride
CID 24747627
3-(4-Chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
CID 2984506
3-(4-Bromo-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 6603534
2,3-Bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
CID 45489340
3-(4-Chloro-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 567605
2-(4-Chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-yloctan-3-ol;hydrochloride
CID 45489352
1-(4-Chlorophenyl)-1-cyclohexyl-3-(4-morpholinyl)-1-propanol
CID 650228
3-(4-Chlorophenyl)-1-(morpholin-4-YL)-2-phenylhexan-3-OL
CID 4193841
2,3-Bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol
CID 24747966
2-(4-Chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
CID 24761501

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride (CID 24748036) is 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride is CCCC(O)(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The InChIKey is OIDZNQGTTGEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrClNO2.ClH/c1-2-11-22(26,18-5-7-19(23)8-6-18)21(16-25-12-14-27-15-13-25)17-3-9-20(24)10-4-17;/h3-10,21,26H,2,11-16H2,1H3;1H.
What are the key properties of 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride has a molecular weight of 489.28 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride is sourced from PubChem (CID 24748036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).