1-bromo-2-(1-phenylethenyl)benzene

C14H11Br — CID 11953451

IUPAC1-bromo-2-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H11Br/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-10H,1H2
InChIKeyWLUVEDDIAAOWKU-UHFFFAOYSA-N
MW259.15 g/mol
LogP4.51
Rot. Bonds2

About 1-bromo-2-(1-phenylethenyl)benzene

1-bromo-2-(1-phenylethenyl)benzene (PubChem CID 11953451) has the molecular formula C14H11Br and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-bromo-2-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-phenylethenyl)benzene
PubChem CID11953451
Molecular FormulaC14H11Br
Molecular Weight259.15 g/mol
Exact Mass258.00
IUPAC Name1-bromo-2-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H11Br/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-10H,1H2
InChIKeyWLUVEDDIAAOWKU-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-(1-phenylethenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-phenylethenyl)benzene?
The IUPAC name of 1-bromo-2-(1-phenylethenyl)benzene (CID 11953451) is 1-bromo-2-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-bromo-2-(1-phenylethenyl)benzene?
The canonical SMILES for 1-bromo-2-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1-phenylethenyl)benzene?
The InChIKey is WLUVEDDIAAOWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-10H,1H2.
What are the key properties of 1-bromo-2-(1-phenylethenyl)benzene?
1-bromo-2-(1-phenylethenyl)benzene has a molecular weight of 259.15 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-phenylethenyl)benzene is sourced from PubChem (CID 11953451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).