(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C14H19NO4 — CID 114344244

IUPAC(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(O)c2O)CC(C)(C)O1
InChIInChI=1S/C14H19NO4/c1-9-7-15(8-14(2,3)19-9)13(18)10-5-4-6-11(16)12(10)17/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeySPZKDFJUIOPWSL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds1

About (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 114344244) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID114344244
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(O)c2O)CC(C)(C)O1
InChIInChI=1S/C14H19NO4/c1-9-7-15(8-14(2,3)19-9)13(18)10-5-4-6-11(16)12(10)17/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeySPZKDFJUIOPWSL-UHFFFAOYSA-N
XLogP1.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
(3-amino-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 115548782
(3-chloro-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 79831111
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 114344244) is (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(O)c2O)CC(C)(C)O1.
What is the InChIKey of (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is SPZKDFJUIOPWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-15(8-14(2,3)19-9)13(18)10-5-4-6-11(16)12(10)17/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114344244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).