1-bromo-4-(4-ethenylphenyl)benzene

C14H11Br — CID 22186394

IUPAC1-bromo-4-(4-ethenylphenyl)benzene
SMILESC=Cc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11Br/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h2-10H,1H2
InChIKeyKDDPJXXHDFTRMI-UHFFFAOYSA-N
MW259.15 g/mol
LogP4.76
Rot. Bonds2

About 1-bromo-4-(4-ethenylphenyl)benzene

1-bromo-4-(4-ethenylphenyl)benzene (PubChem CID 22186394) has the molecular formula C14H11Br and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-bromo-4-(4-ethenylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-ethenylphenyl)benzene
PubChem CID22186394
Molecular FormulaC14H11Br
Molecular Weight259.15 g/mol
Exact Mass258.00
IUPAC Name1-bromo-4-(4-ethenylphenyl)benzene
SMILESC=Cc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11Br/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h2-10H,1H2
InChIKeyKDDPJXXHDFTRMI-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-ethenylphenyl)benzene?
The IUPAC name of 1-bromo-4-(4-ethenylphenyl)benzene (CID 22186394) is 1-bromo-4-(4-ethenylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-ethenylphenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-ethenylphenyl)benzene is C=Cc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-ethenylphenyl)benzene?
The InChIKey is KDDPJXXHDFTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h2-10H,1H2.
What are the key properties of 1-bromo-4-(4-ethenylphenyl)benzene?
1-bromo-4-(4-ethenylphenyl)benzene has a molecular weight of 259.15 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-ethenylphenyl)benzene is sourced from PubChem (CID 22186394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).