(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one

C₁₇H₁₅BrO — CID 162648761

About (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one

(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one (PubChem CID 162648761) has the molecular formula C₁₇H₁₅BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one.

Molecular Properties

• Compound Name: (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one
• PubChem CID: 162648761
• Molecular Formula: C₁₇H₁₅BrO
• Molecular Weight: 315.21 g/mol
• Exact Mass: 314.03
• IUPAC Name: (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one
• SMILES: O=C(/C=C/CCc1ccccc1Br)c1ccccc1
• InChI: InChI=1S/C17H15BrO/c18-16-12-6-4-8-14(16)9-5-7-13-17(19)15-10-2-1-3-11-15/h1-4,6-8,10-13H,5,9H2/b13-7+
• InChIKey: HRQGFPWSRBXOPW-NTUHNPAUSA-N
• XLogP: 4.82
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.21
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?

The IUPAC name of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one (CID 162648761) is (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one.

What is the SMILES notation for (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?

The canonical SMILES for (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one is O=C(/C=C/CCc1ccccc1Br)c1ccccc1.

What is the InChIKey of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?

The InChIKey is HRQGFPWSRBXOPW-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H15BrO/c18-16-12-6-4-8-14(16)9-5-7-13-17(19)15-10-2-1-3-11-15/h1-4,6-8,10-13H,5,9H2/b13-7+.

What are the key properties of (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one?

(E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one has a molecular weight of 315.21 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-5-(2-bromophenyl)-1-phenylpent-2-en-1-one is sourced from PubChem (CID 162648761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162648761 — identifiers, structure, computed properties (public domain)

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