4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid

C23H29NO7 — CID 18986862

IUPAC4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
SMILESCOc1cccc(CCN2CCOCC2)c1OCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H27NO3.C2H2O4/c1-23-20-9-5-8-19(10-12-22-13-16-24-17-14-22)21(20)25-15-11-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-9H,10-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyNRPXSJZJVOOGLM-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.35
Rot. Bonds8

About 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid

4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid (PubChem CID 18986862) has the molecular formula C23H29NO7 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
PubChem CID18986862
Molecular FormulaC23H29NO7
Molecular Weight431.49 g/mol
Exact Mass431.19
IUPAC Name4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
SMILESCOc1cccc(CCN2CCOCC2)c1OCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H27NO3.C2H2O4/c1-23-20-9-5-8-19(10-12-22-13-16-24-17-14-22)21(20)25-15-11-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-9H,10-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyNRPXSJZJVOOGLM-UHFFFAOYSA-N
XLogP2.35
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid (CID 18986862) is 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid is COc1cccc(CCN2CCOCC2)c1OCCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
The InChIKey is NRPXSJZJVOOGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.C2H2O4/c1-23-20-9-5-8-19(10-12-22-13-16-24-17-14-22)21(20)25-15-11-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-9H,10-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid has a molecular weight of 431.49 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid is sourced from PubChem (CID 18986862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).