1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene

C10H10Br2O — CID 102582229

IUPAC1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene
SMILESBrC/C=C/COc1ccccc1Br
InChIInChI=1S/C10H10Br2O/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2/b4-3+
InChIKeyHNSCGPCPAOXKJG-ONEGZZNKSA-N
MW306.00 g/mol
LogP3.78
Rot. Bonds4

About 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene

1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene (PubChem CID 102582229) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene
PubChem CID102582229
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene
SMILESBrC/C=C/COc1ccccc1Br
InChIInChI=1S/C10H10Br2O/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2/b4-3+
InChIKeyHNSCGPCPAOXKJG-ONEGZZNKSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene?
The IUPAC name of 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene (CID 102582229) is 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene?
The canonical SMILES for 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene is BrC/C=C/COc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene?
The InChIKey is HNSCGPCPAOXKJG-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10Br2O/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2/b4-3+.
What are the key properties of 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene?
1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene has a molecular weight of 306.00 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene is sourced from PubChem (CID 102582229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).