(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one

C20H20ClNO3 — CID 1491240

IUPAC(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C20H20ClNO3/c21-18-3-1-2-17(14-18)15-25-19-7-4-16(5-8-19)6-9-20(23)22-10-12-24-13-11-22/h1-9,14H,10-13,15H2/b9-6+
InChIKeyXOCAHSRUDVQTSQ-RMKNXTFCSA-N
MW357.84 g/mol
LogP3.79
Rot. Bonds5

About (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one

(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 1491240) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID1491240
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C20H20ClNO3/c21-18-3-1-2-17(14-18)15-25-19-7-4-16(5-8-19)6-9-20(23)22-10-12-24-13-11-22/h1-9,14H,10-13,15H2/b9-6+
InChIKeyXOCAHSRUDVQTSQ-RMKNXTFCSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.79
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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Related Compounds

Dimethomorph
CID 86298
Dimethomorph E
CID 5889665
Dimethomorph Z
CID 5463781
(E)-1-morpholin-4-yl-3-(4-propoxyphenyl)prop-2-en-1-one
CID 1569010
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
2-[4-(4-Chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone
CID 2527180
2-(4-Chloro-2-methylphenoxy)-1-(piperidin-1-yl)ethanone
CID 774159
1-[(4-Chlorophenoxy)acetyl]-4-(3-phenyl-2-propen-1-yl)piperazine
CID 1001000
4-(4-Chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone
CID 2165175
(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholino-2-propen-1-one
CID 6279076
Chlordimorine
CID 193967

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 1491240) is (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)N1CCOCC1.
What is the InChIKey of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is XOCAHSRUDVQTSQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-18-3-1-2-17(14-18)15-25-19-7-4-16(5-8-19)6-9-20(23)22-10-12-24-13-11-22/h1-9,14H,10-13,15H2/b9-6+.
What are the key properties of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 357.84 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 1491240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).