(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one

C22H23NO3 — CID 155927198

IUPAC(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H23NO3/c1-25-21-12-6-18(7-13-21)4-2-3-5-22(24)19-8-10-20(11-9-19)23-14-16-26-17-15-23/h2-13H,14-17H2,1H3/b4-2+,5-3-
InChIKeyOLDWCQBMKYMLBD-HZDAAVBUSA-N
MW349.43 g/mol
LogP3.98
Rot. Bonds6

About (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one

(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one (PubChem CID 155927198) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
PubChem CID155927198
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H23NO3/c1-25-21-12-6-18(7-13-21)4-2-3-5-22(24)19-8-10-20(11-9-19)23-14-16-26-17-15-23/h2-13H,14-17H2,1H3/b4-2+,5-3-
InChIKeyOLDWCQBMKYMLBD-HZDAAVBUSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 8684941
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
methyl 4-[[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 3978163
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
3-(4-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide
CID 3468232

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one (CID 155927198) is (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one is COc1ccc(/C=C/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one?
The InChIKey is OLDWCQBMKYMLBD-HZDAAVBUSA-N. The full InChI is InChI=1S/C22H23NO3/c1-25-21-12-6-18(7-13-21)4-2-3-5-22(24)19-8-10-20(11-9-19)23-14-16-26-17-15-23/h2-13H,14-17H2,1H3/b4-2+,5-3-.
What are the key properties of (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one?
(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 155927198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).