oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol

C18H21NO6 — CID 2922535

IUPACoxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol
SMILESO=C(O)C(=O)O.OCCNCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO2.C2H2O4/c18-12-10-17-11-13-19-16-9-5-4-8-15(16)14-6-2-1-3-7-14;3-1(4)2(5)6/h1-9,17-18H,10-13H2;(H,3,4)(H,5,6)
InChIKeyMRJKEUXAFWSZBD-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.47
Rot. Bonds7

About oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol

oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol (PubChem CID 2922535) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Nameoxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol
PubChem CID2922535
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Nameoxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol
SMILESO=C(O)C(=O)O.OCCNCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO2.C2H2O4/c18-12-10-17-11-13-19-16-9-5-4-8-15(16)14-6-2-1-3-7-14;3-1(4)2(5)6/h1-9,17-18H,10-13H2;(H,3,4)(H,5,6)
InChIKeyMRJKEUXAFWSZBD-UHFFFAOYSA-N
XLogP1.47
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol?
The IUPAC name of oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol (CID 2922535) is oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol.
What is the SMILES notation for oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol?
The canonical SMILES for oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol is O=C(O)C(=O)O.OCCNCCOc1ccccc1-c1ccccc1.
What is the InChIKey of oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol?
The InChIKey is MRJKEUXAFWSZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C2H2O4/c18-12-10-17-11-13-19-16-9-5-4-8-15(16)14-6-2-1-3-7-14;3-1(4)2(5)6/h1-9,17-18H,10-13H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol?
oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol has a molecular weight of 347.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-[2-(2-phenylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 2922535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).