tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate

C16H23NO4 — CID 77221533

IUPACtert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(Cc2ccccc2O)C1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-8-9-20-13(11-17)10-12-6-4-5-7-14(12)18/h4-7,13,18H,8-11H2,1-3H3
InChIKeyKUZFRFGRGLXJHY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate

tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate (PubChem CID 77221533) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
PubChem CID77221533
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(Cc2ccccc2O)C1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-8-9-20-13(11-17)10-12-6-4-5-7-14(12)18/h4-7,13,18H,8-11H2,1-3H3
InChIKeyKUZFRFGRGLXJHY-UHFFFAOYSA-N
XLogP2.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
CID 67073062
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
tert-butyl 2-[[3-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine-4-carboxylate
CID 171773376
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate
CID 171773306
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-[[2-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]methyl]morpholine-4-carboxylate
CID 90946461
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate
CID 70810940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate (CID 77221533) is tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(Cc2ccccc2O)C1.
What is the InChIKey of tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate?
The InChIKey is KUZFRFGRGLXJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-8-9-20-13(11-17)10-12-6-4-5-7-14(12)18/h4-7,13,18H,8-11H2,1-3H3.
What are the key properties of tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate?
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 77221533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).