6-(5-morpholin-4-ylpentoxy)chromen-4-one

C18H23NO4 — CID 162664969

IUPAC6-(5-morpholin-4-ylpentoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12
InChIInChI=1S/C18H23NO4/c20-17-6-11-23-18-5-4-15(14-16(17)18)22-10-3-1-2-7-19-8-12-21-13-9-19/h4-6,11,14H,1-3,7-10,12-13H2
InChIKeyCIQYOCMKRTYOTH-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.67
Rot. Bonds7

About 6-(5-morpholin-4-ylpentoxy)chromen-4-one

6-(5-morpholin-4-ylpentoxy)chromen-4-one (PubChem CID 162664969) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 6-(5-morpholin-4-ylpentoxy)chromen-4-one.

Molecular Properties

Compound Name6-(5-morpholin-4-ylpentoxy)chromen-4-one
PubChem CID162664969
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name6-(5-morpholin-4-ylpentoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12
InChIInChI=1S/C18H23NO4/c20-17-6-11-23-18-5-4-15(14-16(17)18)22-10-3-1-2-7-19-8-12-21-13-9-19/h4-6,11,14H,1-3,7-10,12-13H2
InChIKeyCIQYOCMKRTYOTH-UHFFFAOYSA-N
XLogP2.67
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-morpholin-4-ylpentoxy)chromen-4-one?
The IUPAC name of 6-(5-morpholin-4-ylpentoxy)chromen-4-one (CID 162664969) is 6-(5-morpholin-4-ylpentoxy)chromen-4-one.
What is the SMILES notation for 6-(5-morpholin-4-ylpentoxy)chromen-4-one?
The canonical SMILES for 6-(5-morpholin-4-ylpentoxy)chromen-4-one is O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12.
What is the InChIKey of 6-(5-morpholin-4-ylpentoxy)chromen-4-one?
The InChIKey is CIQYOCMKRTYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17-6-11-23-18-5-4-15(14-16(17)18)22-10-3-1-2-7-19-8-12-21-13-9-19/h4-6,11,14H,1-3,7-10,12-13H2.
What are the key properties of 6-(5-morpholin-4-ylpentoxy)chromen-4-one?
6-(5-morpholin-4-ylpentoxy)chromen-4-one has a molecular weight of 317.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-morpholin-4-ylpentoxy)chromen-4-one is sourced from PubChem (CID 162664969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).