4-[1-(4-chlorophenyl)prop-2-enyl]morpholine

C13H16ClNO — CID 11961332

IUPAC4-[1-(4-chlorophenyl)prop-2-enyl]morpholine
SMILESC=CC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H16ClNO/c1-2-13(15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h2-6,13H,1,7-10H2
InChIKeyUDCFQAJZZWAOLG-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.90
Rot. Bonds3

About 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine

4-[1-(4-chlorophenyl)prop-2-enyl]morpholine (PubChem CID 11961332) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)prop-2-enyl]morpholine
PubChem CID11961332
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-[1-(4-chlorophenyl)prop-2-enyl]morpholine
SMILESC=CC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H16ClNO/c1-2-13(15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h2-6,13H,1,7-10H2
InChIKeyUDCFQAJZZWAOLG-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydroxyzine
CID 3658
Hydroxyzine Hydrochloride
CID 91513
Etodroxizine
CID 63345
Hydroxyzine monohydrochloride
CID 71612
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanethione
CID 229985
ML398
CID 72737723
(4-Chlorophenyl)(morpholino)methanethione
CID 684261
(S)-Hydroxyzine
CID 1548976
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
2-(Chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
CID 4962062
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine (CID 11961332) is 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine is C=CC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine?
The InChIKey is UDCFQAJZZWAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-13(15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h2-6,13H,1,7-10H2.
What are the key properties of 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine?
4-[1-(4-chlorophenyl)prop-2-enyl]morpholine has a molecular weight of 237.73 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)prop-2-enyl]morpholine is sourced from PubChem (CID 11961332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).