oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine

C21H25NO6 — CID 2923223

IUPACoxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCOCC2)cc1
InChIInChI=1S/C19H23NO2.C2H2O4/c1-2-7-17(8-3-1)18-9-4-5-10-19(18)22-14-6-11-20-12-15-21-16-13-20;3-1(4)2(5)6/h1-5,7-10H,6,11-16H2;(H,3,4)(H,5,6)
InChIKeyKWIRWFCXONNAQZ-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.61
Rot. Bonds6

About oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine

oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine (PubChem CID 2923223) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine.

Molecular Properties

Compound Nameoxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine
PubChem CID2923223
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Nameoxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCOCC2)cc1
InChIInChI=1S/C19H23NO2.C2H2O4/c1-2-7-17(8-3-1)18-9-4-5-10-19(18)22-14-6-11-20-12-15-21-16-13-20;3-1(4)2(5)6/h1-5,7-10H,6,11-16H2;(H,3,4)(H,5,6)
InChIKeyKWIRWFCXONNAQZ-UHFFFAOYSA-N
XLogP2.61
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
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;4-[3-(2-phenylphenoxy)propyl]morpholine?
The IUPAC name of oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine (CID 2923223) is oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine.
What is the SMILES notation for oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine?
The canonical SMILES for oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine is O=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCOCC2)cc1.
What is the InChIKey of oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine?
The InChIKey is KWIRWFCXONNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.C2H2O4/c1-2-7-17(8-3-1)18-9-4-5-10-19(18)22-14-6-11-20-12-15-21-16-13-20;3-1(4)2(5)6/h1-5,7-10H,6,11-16H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine?
oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine has a molecular weight of 387.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;4-[3-(2-phenylphenoxy)propyl]morpholine is sourced from PubChem (CID 2923223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).