2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid

C15H21NO7 — CID 67598260

IUPAC2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid
SMILESO=C(O)C(=O)O.OCCOC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C13H19NO3.C2H2O4/c15-7-9-17-13(11-4-2-1-3-5-11)12-10-14-6-8-16-12;3-1(4)2(5)6/h1-5,12-15H,6-10H2;(H,3,4)(H,5,6)
InChIKeyGSIWGQCEJXZKJE-UHFFFAOYSA-N
MW327.33 g/mol
LogP-0.12
Rot. Bonds5

About 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid

2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid (PubChem CID 67598260) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid.

Molecular Properties

Compound Name2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid
PubChem CID67598260
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid
SMILESO=C(O)C(=O)O.OCCOC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C13H19NO3.C2H2O4/c15-7-9-17-13(11-4-2-1-3-5-11)12-10-14-6-8-16-12;3-1(4)2(5)6/h1-5,12-15H,6-10H2;(H,3,4)(H,5,6)
InChIKeyGSIWGQCEJXZKJE-UHFFFAOYSA-N
XLogP-0.12
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

but-2-enedioic acid;2-[morpholin-2-yl(phenyl)methoxy]ethanol
CID 67597316
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
2-[(4-methylphenoxy)-phenylmethyl]morpholine
CID 3029454
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
but-2-enedioic acid;(2S)-2-[(S)-phenyl-(2,4,6-trichlorophenoxy)methyl]morpholine
CID 68598830
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(S)-phenyl-(2-phenylmethoxyphenoxy)methyl]morpholine
CID 68545339
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
2-(1-phenylpropyl)morpholine
CID 70531832
(E)-but-2-enedioic acid;(2S)-2-[(S)-(2,5-dichlorophenoxy)-phenylmethyl]morpholine
CID 68599248

Frequently Asked Questions

What is the IUPAC name of 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid?
The IUPAC name of 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid (CID 67598260) is 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid.
What is the SMILES notation for 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid?
The canonical SMILES for 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid is O=C(O)C(=O)O.OCCOC(c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid?
The InChIKey is GSIWGQCEJXZKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.C2H2O4/c15-7-9-17-13(11-4-2-1-3-5-11)12-10-14-6-8-16-12;3-1(4)2(5)6/h1-5,12-15H,6-10H2;(H,3,4)(H,5,6).
What are the key properties of 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid?
2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid has a molecular weight of 327.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid is sourced from PubChem (CID 67598260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).