1-bromo-4-[(E)-2-phenylethenyl]benzene

C14H11Br — CID 5374623

IUPAC1-bromo-4-[(E)-2-phenylethenyl]benzene
SMILESBrc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyZZMMKLVIBZWGPK-VOTSOKGWSA-N
MW259.15 g/mol
LogP4.62
Rot. Bonds2

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

1-bromo-4-[(E)-2-phenylethenyl]benzene (PubChem CID 5374623) has the molecular formula C14H11Br and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-phenylethenyl]benzene
PubChem CID5374623
Molecular FormulaC14H11Br
Molecular Weight259.15 g/mol
Exact Mass258.00
IUPAC Name1-bromo-4-[(E)-2-phenylethenyl]benzene
SMILESBrc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyZZMMKLVIBZWGPK-VOTSOKGWSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-phenylethenyl]benzene (CID 5374623) is 1-bromo-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-phenylethenyl]benzene is Brc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is ZZMMKLVIBZWGPK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+.
What are the key properties of 1-bromo-4-[(E)-2-phenylethenyl]benzene?
1-bromo-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 259.15 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 5374623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).