4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene

C₁₃H₁₅BrO — CID 130287639

About 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene

4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene (PubChem CID 130287639) has the molecular formula C₁₃H₁₅BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene.

Molecular Properties

• Compound Name: 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
• PubChem CID: 130287639
• Molecular Formula: C₁₃H₁₅BrO
• Molecular Weight: 267.17 g/mol
• Exact Mass: 266.03
• IUPAC Name: 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
• SMILES: C=CCC(C)Oc1ccc(Br)cc1C=C
• InChI: InChI=1S/C13H15BrO/c1-4-6-10(3)15-13-8-7-12(14)9-11(13)5-2/h4-5,7-10H,1-2,6H2,3H3
• InChIKey: UXJGSQLNLGJHSB-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.17
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?

The IUPAC name of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene (CID 130287639) is 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene.

What is the SMILES notation for 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?

The canonical SMILES for 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene is C=CCC(C)Oc1ccc(Br)cc1C=C.

What is the InChIKey of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?

The InChIKey is UXJGSQLNLGJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-4-6-10(3)15-13-8-7-12(14)9-11(13)5-2/h4-5,7-10H,1-2,6H2,3H3.

What are the key properties of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?

4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene has a molecular weight of 267.17 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene is sourced from PubChem (CID 130287639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130287639 — identifiers, structure, computed properties (public domain)

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