(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one

C17H15ClOSe — CID 139265077

IUPAC(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
SMILESCC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H15ClOSe/c1-2-6-16(17(19)13-7-4-3-5-8-13)20-15-11-9-14(18)10-12-15/h3-12H,2H2,1H3/b16-6-
InChIKeyMVJJWBBNABPFGN-SOFYXZRVSA-N
MW349.72 g/mol
LogP3.85
Rot. Bonds5

About (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one

(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one (PubChem CID 139265077) has the molecular formula C17H15ClOSe and a molecular weight of 349.72 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
PubChem CID139265077
Molecular FormulaC17H15ClOSe
Molecular Weight349.72 g/mol
Exact Mass350.00
IUPAC Name(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
SMILESCC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H15ClOSe/c1-2-6-16(17(19)13-7-4-3-5-8-13)20-15-11-9-14(18)10-12-15/h3-12H,2H2,1H3/b16-6-
InChIKeyMVJJWBBNABPFGN-SOFYXZRVSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one?
The IUPAC name of (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one (CID 139265077) is (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one?
The canonical SMILES for (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one is CC/C=C(\[Se]c1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one?
The InChIKey is MVJJWBBNABPFGN-SOFYXZRVSA-N. The full InChI is InChI=1S/C17H15ClOSe/c1-2-6-16(17(19)13-7-4-3-5-8-13)20-15-11-9-14(18)10-12-15/h3-12H,2H2,1H3/b16-6-.
What are the key properties of (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one?
(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one has a molecular weight of 349.72 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one is sourced from PubChem (CID 139265077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).