tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate

C15H20FNO4 — CID 171653389

IUPACtert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(O)c2)C1
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-6-7-20-13(9-17)10-4-5-11(16)12(18)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3
InChIKeyIIIYNIOQRANONS-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate

tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate (PubChem CID 171653389) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
PubChem CID171653389
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nametert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(O)c2)C1
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-6-7-20-13(9-17)10-4-5-11(16)12(18)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3
InChIKeyIIIYNIOQRANONS-UHFFFAOYSA-N
XLogP2.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561
CID 90054409
CID 90054409
tert-butyl (2S)-2-[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]morpholine-4-carboxylate
CID 66705835
tert-butyl 2-[4-(2-cyanoacetyl)-3-methoxyphenyl]morpholine-4-carboxylate
CID 123778325
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate (CID 171653389) is tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(O)c2)C1.
What is the InChIKey of tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate?
The InChIKey is IIIYNIOQRANONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-6-7-20-13(9-17)10-4-5-11(16)12(18)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate?
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 171653389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).