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

C20H19Cl2NO3 — CID 1472262

IUPAC(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C20H19Cl2NO3/c21-17-5-4-16(19(22)13-17)14-26-18-6-1-15(2-7-18)3-8-20(24)23-9-11-25-12-10-23/h1-8,13H,9-12,14H2/b8-3+
InChIKeyYDSUSXZBFHYXEI-FPYGCLRLSA-N
MW392.28 g/mol
LogP4.44
Rot. Bonds5

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

(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 1472262) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID1472262
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C20H19Cl2NO3/c21-17-5-4-16(19(22)13-17)14-26-18-6-1-15(2-7-18)3-8-20(24)23-9-11-25-12-10-23/h1-8,13H,9-12,14H2/b8-3+
InChIKeyYDSUSXZBFHYXEI-FPYGCLRLSA-N
XLogP4.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.44
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

(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 6277878
(E)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19295262
(E)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-en-1-one
CID 19295263
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 126376555
(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108755340
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849185
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 1472262) is (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCOCC1.
What is the InChIKey of (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is YDSUSXZBFHYXEI-FPYGCLRLSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c21-17-5-4-16(19(22)13-17)14-26-18-6-1-15(2-7-18)3-8-20(24)23-9-11-25-12-10-23/h1-8,13H,9-12,14H2/b8-3+.
What are the key properties of (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 392.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 1472262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).