2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one

C21H21NO5 — CID 11566823

IUPAC2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCCOc3ccccc3)ccc12
InChIInChI=1S/C21H21NO5/c23-19-15-21(22-8-10-24-11-9-22)27-20-14-17(6-7-18(19)20)26-13-12-25-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKeyWZUWDKBMBHSVAZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.09
Rot. Bonds6

About 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one

2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one (PubChem CID 11566823) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one
PubChem CID11566823
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCCOc3ccccc3)ccc12
InChIInChI=1S/C21H21NO5/c23-19-15-21(22-8-10-24-11-9-22)27-20-14-17(6-7-18(19)20)26-13-12-25-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKeyWZUWDKBMBHSVAZ-UHFFFAOYSA-N
XLogP3.09
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one (CID 11566823) is 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one is O=c1cc(N2CCOCC2)oc2cc(OCCOc3ccccc3)ccc12.
What is the InChIKey of 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one?
The InChIKey is WZUWDKBMBHSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c23-19-15-21(22-8-10-24-11-9-22)27-20-14-17(6-7-18(19)20)26-13-12-25-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2.
What are the key properties of 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one?
2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one has a molecular weight of 367.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-(2-phenoxyethoxy)chromen-4-one is sourced from PubChem (CID 11566823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).