2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione

C22H21NO5 — CID 67809439

IUPAC2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione
SMILESO=C1C=C(c2ccccc2OCc2ccccc2)OC(N2CCOCC2)C1=O
InChIInChI=1S/C22H21NO5/c24-18-14-20(28-22(21(18)25)23-10-12-26-13-11-23)17-8-4-5-9-19(17)27-15-16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2
InChIKeyCDGLBDAXXCRMII-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.43
Rot. Bonds5

About 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione

2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione (PubChem CID 67809439) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione
PubChem CID67809439
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione
SMILESO=C1C=C(c2ccccc2OCc2ccccc2)OC(N2CCOCC2)C1=O
InChIInChI=1S/C22H21NO5/c24-18-14-20(28-22(21(18)25)23-10-12-26-13-11-23)17-8-4-5-9-19(17)27-15-16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2
InChIKeyCDGLBDAXXCRMII-UHFFFAOYSA-N
XLogP2.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione?
The IUPAC name of 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione (CID 67809439) is 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione.
What is the SMILES notation for 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione?
The canonical SMILES for 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione is O=C1C=C(c2ccccc2OCc2ccccc2)OC(N2CCOCC2)C1=O.
What is the InChIKey of 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione?
The InChIKey is CDGLBDAXXCRMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c24-18-14-20(28-22(21(18)25)23-10-12-26-13-11-23)17-8-4-5-9-19(17)27-15-16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2.
What are the key properties of 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione?
2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione has a molecular weight of 379.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pyran-3,4-dione is sourced from PubChem (CID 67809439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).