4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol

C13H16F3NO3 — CID 56869028

IUPAC4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
SMILESCOc1ccc(O)cc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO3/c1-19-11-3-2-10(18)6-9(11)7-17-4-5-20-12(8-17)13(14,15)16/h2-3,6,12,18H,4-5,7-8H2,1H3
InChIKeyJLTQEOFJSACFGS-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.16
Rot. Bonds3

About 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol

4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol (PubChem CID 56869028) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
PubChem CID56869028
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
SMILESCOc1ccc(O)cc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO3/c1-19-11-3-2-10(18)6-9(11)7-17-4-5-20-12(8-17)13(14,15)16/h2-3,6,12,18H,4-5,7-8H2,1H3
InChIKeyJLTQEOFJSACFGS-UHFFFAOYSA-N
XLogP2.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 56881232
5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 56862557
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 81213290
4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine
CID 56874321
4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol
CID 82977781
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
CID 81497197
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol?
The IUPAC name of 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol (CID 56869028) is 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol?
The canonical SMILES for 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol is COc1ccc(O)cc1CN1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol?
The InChIKey is JLTQEOFJSACFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-19-11-3-2-10(18)6-9(11)7-17-4-5-20-12(8-17)13(14,15)16/h2-3,6,12,18H,4-5,7-8H2,1H3.
What are the key properties of 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol?
4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol has a molecular weight of 291.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 56869028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).