4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine

C22H24ClNO4 — CID 123136742

IUPAC4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine
SMILESCOc1ccc(C(=CC2OC2N2CCOCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H24ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(23)7-4-15)14-21-22(28-21)24-9-11-27-12-10-24/h3-8,13-14,21-22H,9-12H2,1-2H3
InChIKeyQVCTUQYCUYWUPJ-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.85
Rot. Bonds6

About 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine

4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine (PubChem CID 123136742) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine
PubChem CID123136742
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Name4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine
SMILESCOc1ccc(C(=CC2OC2N2CCOCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H24ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(23)7-4-15)14-21-22(28-21)24-9-11-27-12-10-24/h3-8,13-14,21-22H,9-12H2,1-2H3
InChIKeyQVCTUQYCUYWUPJ-UHFFFAOYSA-N
XLogP3.85
TPSA43.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-ylprop-2-en-1-one
CID 69169085
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
CID 67584480
4-chlorobenzoyl chloride;4-chloro-N-[4-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]benzamide
CID 157201868
methyl (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 51050269
(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-3-ylprop-2-en-1-one
CID 45357098
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
(E)-1-(3,4-dimethoxyphenyl)-N-morpholin-4-ylethanimine
CID 75361321
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(4E,5R)-5-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 5456171
1-[4-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-3-phenylurea
CID 54348483
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-3-[4-(4-propyl-1,3-dioxolan-2-yl)phenyl]prop-2-en-1-one
CID 172747303
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine?
The IUPAC name of 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine (CID 123136742) is 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine.
What is the SMILES notation for 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine?
The canonical SMILES for 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine is COc1ccc(C(=CC2OC2N2CCOCC2)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine?
The InChIKey is QVCTUQYCUYWUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(23)7-4-15)14-21-22(28-21)24-9-11-27-12-10-24/h3-8,13-14,21-22H,9-12H2,1-2H3.
What are the key properties of 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine?
4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine has a molecular weight of 401.89 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine is sourced from PubChem (CID 123136742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).