2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol

C17H18BrNO2 — CID 25108301

IUPAC2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol
SMILESCN1CCOC(O)(c2ccc(-c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3
InChIKeyNALOOEVGTGAOHW-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.22
Rot. Bonds2

About 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol

2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol (PubChem CID 25108301) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol
PubChem CID25108301
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol
SMILESCN1CCOC(O)(c2ccc(-c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3
InChIKeyNALOOEVGTGAOHW-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-(4,4'-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium) dibromide
CID 9399
Hemicholinium-3
CID 3585
(2s,2's)-2,2'-Biphenyl-4,4'-Diylbis(2-Hydroxy-4,4-Dimethylmorpholin-4-Ium)
CID 25023712
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-(4-bromo-phenyl)-propan-1-ol
CID 401920
(2S)-2-[4-[4-[(2S)-2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol dibromide
CID 49862670
2-[4-(4-Bromophenyl)phenyl]-4-methyl-octahydro-1,4-benzoxazine-2-ol
CID 25108235
3-[4-(4-Bromophenyl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol
CID 25108303
3-(4-Bromo-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 6603534
1-(4-Bromophenyl)-2-morpholinoethanol
CID 233588
4-Methyl-2-naphthalen-2-ylmorpholin-2-ol;hydrobromide
CID 52945485
3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
CID 90674189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol?
The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol (CID 25108301) is 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol?
The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol is CN1CCOC(O)(c2ccc(-c3ccc(Br)cc3)cc2)C1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol?
The InChIKey is NALOOEVGTGAOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol?
2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol has a molecular weight of 348.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol is sourced from PubChem (CID 25108301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).