1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol

C26H26F3NO3 — CID 69292293

IUPAC1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccccc1OC(F)(F)F)(c1ccccc1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H26F3NO3/c27-26(28,29)33-23-14-8-7-11-21(23)17-25(31,22-12-5-2-6-13-22)24-19-30(15-16-32-24)18-20-9-3-1-4-10-20/h1-14,24,31H,15-19H2
InChIKeyRWMNZSMOBIYZCE-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.92
Rot. Bonds7

About 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol

1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 69292293) has the molecular formula C26H26F3NO3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID69292293
Molecular FormulaC26H26F3NO3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccccc1OC(F)(F)F)(c1ccccc1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H26F3NO3/c27-26(28,29)33-23-14-8-7-11-21(23)17-25(31,22-12-5-2-6-13-22)24-19-30(15-16-32-24)18-20-9-3-1-4-10-20/h1-14,24,31H,15-19H2
InChIKeyRWMNZSMOBIYZCE-UHFFFAOYSA-N
XLogP4.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
CID 69292131
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
(1S)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292907
iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 158449905
(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
CID 70336164
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol
CID 70335752
(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine
CID 70333735
1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
CID 59789274
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol
CID 66654055

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol (CID 69292293) is 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol is OC(Cc1ccccc1OC(F)(F)F)(c1ccccc1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is RWMNZSMOBIYZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO3/c27-26(28,29)33-23-14-8-7-11-21(23)17-25(31,22-12-5-2-6-13-22)24-19-30(15-16-32-24)18-20-9-3-1-4-10-20/h1-14,24,31H,15-19H2.
What are the key properties of 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 457.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 69292293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).