3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one

C19H19NO2 — CID 2917217

IUPAC3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyWSQHPTREFAGYOE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.38
Rot. Bonds4

About 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one

3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 2917217) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID2917217
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyWSQHPTREFAGYOE-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one (CID 2917217) is 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one is O=C(C=CN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is WSQHPTREFAGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11H,12-15H2.
What are the key properties of 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one?
3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 2917217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).