6-(4-morpholin-4-ylbutoxy)chromen-4-one

C17H21NO4 — CID 141195395

IUPAC6-(4-morpholin-4-ylbutoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCCCN3CCOCC3)cc12
InChIInChI=1S/C17H21NO4/c19-16-5-10-22-17-4-3-14(13-15(16)17)21-9-2-1-6-18-7-11-20-12-8-18/h3-5,10,13H,1-2,6-9,11-12H2
InChIKeyRLYDQSBWHQJVNW-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.28
Rot. Bonds6

About 6-(4-morpholin-4-ylbutoxy)chromen-4-one

6-(4-morpholin-4-ylbutoxy)chromen-4-one (PubChem CID 141195395) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylbutoxy)chromen-4-one.

Molecular Properties

Compound Name6-(4-morpholin-4-ylbutoxy)chromen-4-one
PubChem CID141195395
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name6-(4-morpholin-4-ylbutoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCCCN3CCOCC3)cc12
InChIInChI=1S/C17H21NO4/c19-16-5-10-22-17-4-3-14(13-15(16)17)21-9-2-1-6-18-7-11-20-12-8-18/h3-5,10,13H,1-2,6-9,11-12H2
InChIKeyRLYDQSBWHQJVNW-UHFFFAOYSA-N
XLogP2.28
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.28
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-(4-morpholin-4-ylbutoxy)chromen-4-one?
The IUPAC name of 6-(4-morpholin-4-ylbutoxy)chromen-4-one (CID 141195395) is 6-(4-morpholin-4-ylbutoxy)chromen-4-one.
What is the SMILES notation for 6-(4-morpholin-4-ylbutoxy)chromen-4-one?
The canonical SMILES for 6-(4-morpholin-4-ylbutoxy)chromen-4-one is O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12.
What is the InChIKey of 6-(4-morpholin-4-ylbutoxy)chromen-4-one?
The InChIKey is RLYDQSBWHQJVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16-5-10-22-17-4-3-14(13-15(16)17)21-9-2-1-6-18-7-11-20-12-8-18/h3-5,10,13H,1-2,6-9,11-12H2.
What are the key properties of 6-(4-morpholin-4-ylbutoxy)chromen-4-one?
6-(4-morpholin-4-ylbutoxy)chromen-4-one has a molecular weight of 303.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylbutoxy)chromen-4-one is sourced from PubChem (CID 141195395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).