2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one

C16H17NO4 — CID 21106400

IUPAC2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one
SMILESCOc1ccccc1-c1cc(=O)cc(N2CCOCC2)o1
InChIInChI=1S/C16H17NO4/c1-19-14-5-3-2-4-13(14)15-10-12(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
InChIKeyZDNMYLJFYAXNHH-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.15
Rot. Bonds3

About 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one

2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one (PubChem CID 21106400) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one
PubChem CID21106400
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one
SMILESCOc1ccccc1-c1cc(=O)cc(N2CCOCC2)o1
InChIInChI=1S/C16H17NO4/c1-19-14-5-3-2-4-13(14)15-10-12(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
InChIKeyZDNMYLJFYAXNHH-UHFFFAOYSA-N
XLogP2.15
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one (CID 21106400) is 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one is COc1ccccc1-c1cc(=O)cc(N2CCOCC2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one?
The InChIKey is ZDNMYLJFYAXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-14-5-3-2-4-13(14)15-10-12(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one?
2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one has a molecular weight of 287.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-morpholin-4-ylpyran-4-one is sourced from PubChem (CID 21106400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).