4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine

C20H19Cl2NO — CID 164679252

IUPAC4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine
SMILESClc1ccc(/C=C/C=C(\c2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H19Cl2NO/c21-18-8-4-16(5-9-18)2-1-3-20(23-12-14-24-15-13-23)17-6-10-19(22)11-7-17/h1-11H,12-15H2/b2-1+,20-3+
InChIKeyBHXYFLOPJWHCPY-PFJUMCMMSA-N
MW360.28 g/mol
LogP5.38
Rot. Bonds4

About 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine

4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine (PubChem CID 164679252) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine
PubChem CID164679252
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine
SMILESClc1ccc(/C=C/C=C(\c2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H19Cl2NO/c21-18-8-4-16(5-9-18)2-1-3-20(23-12-14-24-15-13-23)17-6-10-19(22)11-7-17/h1-11H,12-15H2/b2-1+,20-3+
InChIKeyBHXYFLOPJWHCPY-PFJUMCMMSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydroxyzine
CID 3658
Hydroxyzine Hydrochloride
CID 91513
Etodroxizine
CID 63345
Hydroxyzine monohydrochloride
CID 71612
ML398
CID 72737723
(4-Chlorophenyl)(morpholino)methanethione
CID 684261
(S)-Hydroxyzine
CID 1548976
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
2-[2-[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 118109245

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine (CID 164679252) is 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine is Clc1ccc(/C=C/C=C(\c2ccc(Cl)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine?
The InChIKey is BHXYFLOPJWHCPY-PFJUMCMMSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c21-18-8-4-16(5-9-18)2-1-3-20(23-12-14-24-15-13-23)17-6-10-19(22)11-7-17/h1-11H,12-15H2/b2-1+,20-3+.
What are the key properties of 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine?
4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine has a molecular weight of 360.28 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine is sourced from PubChem (CID 164679252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).