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

C21H21NO4 — CID 11624481

IUPAC2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C21H21NO4/c23-19-15-21(22-9-12-24-13-10-22)26-20-14-17(6-7-18(19)20)25-11-8-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKeyKIOBMXIHRJGBLA-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.25
Rot. Bonds5

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

2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one (PubChem CID 11624481) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one
PubChem CID11624481
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C21H21NO4/c23-19-15-21(22-9-12-24-13-10-22)26-20-14-17(6-7-18(19)20)25-11-8-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKeyKIOBMXIHRJGBLA-UHFFFAOYSA-N
XLogP3.25
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one (CID 11624481) is 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one is O=c1cc(N2CCOCC2)oc2cc(OCCc3ccccc3)ccc12.
What is the InChIKey of 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one?
The InChIKey is KIOBMXIHRJGBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-19-15-21(22-9-12-24-13-10-22)26-20-14-17(6-7-18(19)20)25-11-8-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2.
What are the key properties of 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one?
2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one has a molecular weight of 351.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-(2-phenylethoxy)chromen-4-one is sourced from PubChem (CID 11624481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).