(4-chlorophenyl)-morpholin-4-ylmethaneselone

C11H12ClNOSe — CID 4168539

IUPAC(4-chlorophenyl)-morpholin-4-ylmethaneselone
SMILESClc1ccc(C(=[Se])N2CCOCC2)cc1
InChIInChI=1S/C11H12ClNOSe/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyJTZLWHVNHFFEBA-UHFFFAOYSA-N
MW288.64 g/mol
LogP1.32
Rot. Bonds2

About (4-chlorophenyl)-morpholin-4-ylmethaneselone

(4-chlorophenyl)-morpholin-4-ylmethaneselone (PubChem CID 4168539) has the molecular formula C11H12ClNOSe and a molecular weight of 288.64 g/mol. Its IUPAC name is (4-chlorophenyl)-morpholin-4-ylmethaneselone.

Molecular Properties

Compound Name(4-chlorophenyl)-morpholin-4-ylmethaneselone
PubChem CID4168539
Molecular FormulaC11H12ClNOSe
Molecular Weight288.64 g/mol
Exact Mass288.98
IUPAC Name(4-chlorophenyl)-morpholin-4-ylmethaneselone
SMILESClc1ccc(C(=[Se])N2CCOCC2)cc1
InChIInChI=1S/C11H12ClNOSe/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyJTZLWHVNHFFEBA-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-morpholin-4-ylmethaneselone?
The IUPAC name of (4-chlorophenyl)-morpholin-4-ylmethaneselone (CID 4168539) is (4-chlorophenyl)-morpholin-4-ylmethaneselone.
What is the SMILES notation for (4-chlorophenyl)-morpholin-4-ylmethaneselone?
The canonical SMILES for (4-chlorophenyl)-morpholin-4-ylmethaneselone is Clc1ccc(C(=[Se])N2CCOCC2)cc1.
What is the InChIKey of (4-chlorophenyl)-morpholin-4-ylmethaneselone?
The InChIKey is JTZLWHVNHFFEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOSe/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2.
What are the key properties of (4-chlorophenyl)-morpholin-4-ylmethaneselone?
(4-chlorophenyl)-morpholin-4-ylmethaneselone has a molecular weight of 288.64 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-morpholin-4-ylmethaneselone is sourced from PubChem (CID 4168539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).