(E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one

C19H19NO2 — CID 8685497

IUPAC(E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19NO2/c21-19(11-6-16-4-2-1-3-5-16)17-7-9-18(10-8-17)20-12-14-22-15-13-20/h1-11H,12-15H2/b11-6+
InChIKeyLDOJSLUMVHEGBG-IZZDOVSWSA-N
MW293.37 g/mol
LogP3.42
Rot. Bonds4

About (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one

(E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one (PubChem CID 8685497) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one
PubChem CID8685497
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19NO2/c21-19(11-6-16-4-2-1-3-5-16)17-7-9-18(10-8-17)20-12-14-22-15-13-20/h1-11H,12-15H2/b11-6+
InChIKeyLDOJSLUMVHEGBG-IZZDOVSWSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one (CID 8685497) is (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is LDOJSLUMVHEGBG-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(11-6-16-4-2-1-3-5-16)17-7-9-18(10-8-17)20-12-14-22-15-13-20/h1-11H,12-15H2/b11-6+.
What are the key properties of (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-morpholin-4-ylphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 8685497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).