1-bromo-4-ethenoxybenzene

C8H7BrO — CID 11401372

IUPAC1-bromo-4-ethenoxybenzene
SMILESC=COc1ccc(Br)cc1
InChIInChI=1S/C8H7BrO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKeyPPNABDIAKJRGJI-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.97
Rot. Bonds2

About 1-bromo-4-ethenoxybenzene

1-bromo-4-ethenoxybenzene (PubChem CID 11401372) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 1-bromo-4-ethenoxybenzene.

Molecular Properties

Compound Name1-bromo-4-ethenoxybenzene
PubChem CID11401372
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name1-bromo-4-ethenoxybenzene
SMILESC=COc1ccc(Br)cc1
InChIInChI=1S/C8H7BrO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKeyPPNABDIAKJRGJI-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethenoxybenzene?
The IUPAC name of 1-bromo-4-ethenoxybenzene (CID 11401372) is 1-bromo-4-ethenoxybenzene.
What is the SMILES notation for 1-bromo-4-ethenoxybenzene?
The canonical SMILES for 1-bromo-4-ethenoxybenzene is C=COc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-ethenoxybenzene?
The InChIKey is PPNABDIAKJRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2.
What are the key properties of 1-bromo-4-ethenoxybenzene?
1-bromo-4-ethenoxybenzene has a molecular weight of 199.05 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethenoxybenzene is sourced from PubChem (CID 11401372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).