2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one

C21H19NO3 — CID 11709748

IUPAC2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(/C=C/c3ccccc3)cccc12
InChIInChI=1S/C21H19NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2/b10-9+
InChIKeyOLQGOHPEAUHNBE-MDZDMXLPSA-N
MW333.39 g/mol
LogP3.80
Rot. Bonds3

About 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one

2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one (PubChem CID 11709748) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one
PubChem CID11709748
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(/C=C/c3ccccc3)cccc12
InChIInChI=1S/C21H19NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2/b10-9+
InChIKeyOLQGOHPEAUHNBE-MDZDMXLPSA-N
XLogP3.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one (CID 11709748) is 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one is O=c1cc(N2CCOCC2)oc2c(/C=C/c3ccccc3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one?
The InChIKey is OLQGOHPEAUHNBE-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H19NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2/b10-9+.
What are the key properties of 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one?
2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-[(E)-2-phenylethenyl]chromen-4-one is sourced from PubChem (CID 11709748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).