4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol

C18H18F3NO2 — CID 66654055

IUPAC4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol
SMILESOc1ccc(C2CN(Cc3ccccc3)CCO2)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)16-10-14(23)6-7-15(16)17-12-22(8-9-24-17)11-13-4-2-1-3-5-13/h1-7,10,17,23H,8-9,11-12H2
InChIKeyNZXKNZOKGCOJDO-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.98
Rot. Bonds3

About 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol

4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol (PubChem CID 66654055) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol
PubChem CID66654055
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol
SMILESOc1ccc(C2CN(Cc3ccccc3)CCO2)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)16-10-14(23)6-7-15(16)17-12-22(8-9-24-17)11-13-4-2-1-3-5-13/h1-7,10,17,23H,8-9,11-12H2
InChIKeyNZXKNZOKGCOJDO-UHFFFAOYSA-N
XLogP3.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 87243672
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine
CID 68901591
4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
CID 66653794
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
tert-butyl 3-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]morpholin-4-yl]propanoate;tert-butyl 3-[2-[4-(2-methylbenzoyl)phenyl]morpholin-4-yl]propanoate
CID 157475492
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
CID 59789274
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol (CID 66654055) is 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol is Oc1ccc(C2CN(Cc3ccccc3)CCO2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol?
The InChIKey is NZXKNZOKGCOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)16-10-14(23)6-7-15(16)17-12-22(8-9-24-17)11-13-4-2-1-3-5-13/h1-7,10,17,23H,8-9,11-12H2.
What are the key properties of 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol?
4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol has a molecular weight of 337.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 66654055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).