5-bromopenta-2,4-dienylbenzene

C11H11Br — CID 71379165

IUPAC5-bromopenta-2,4-dienylbenzene
SMILESBrC=CC=CCc1ccccc1
InChIInChI=1S/C11H11Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-8,10H,9H2
InChIKeyYOOJNVIEVFVWPW-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.69
Rot. Bonds3

About 5-bromopenta-2,4-dienylbenzene

5-bromopenta-2,4-dienylbenzene (PubChem CID 71379165) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 5-bromopenta-2,4-dienylbenzene.

Molecular Properties

Compound Name5-bromopenta-2,4-dienylbenzene
PubChem CID71379165
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name5-bromopenta-2,4-dienylbenzene
SMILESBrC=CC=CCc1ccccc1
InChIInChI=1S/C11H11Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-8,10H,9H2
InChIKeyYOOJNVIEVFVWPW-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-bromopenta-2,4-dienylbenzene 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 5-bromopenta-2,4-dienylbenzene?
The IUPAC name of 5-bromopenta-2,4-dienylbenzene (CID 71379165) is 5-bromopenta-2,4-dienylbenzene.
What is the SMILES notation for 5-bromopenta-2,4-dienylbenzene?
The canonical SMILES for 5-bromopenta-2,4-dienylbenzene is BrC=CC=CCc1ccccc1.
What is the InChIKey of 5-bromopenta-2,4-dienylbenzene?
The InChIKey is YOOJNVIEVFVWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-8,10H,9H2.
What are the key properties of 5-bromopenta-2,4-dienylbenzene?
5-bromopenta-2,4-dienylbenzene has a molecular weight of 223.11 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopenta-2,4-dienylbenzene is sourced from PubChem (CID 71379165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).