[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene

C11H10BrCl — CID 125477290

IUPAC[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
SMILESC=CC/C(Br)=C(/Cl)c1ccccc1
InChIInChI=1S/C11H10BrCl/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/b11-10-
InChIKeyJGQHBFPYJCGFFG-KHPPLWFESA-N
MW257.56 g/mol
LogP4.57
Rot. Bonds3

About [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene

[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene (PubChem CID 125477290) has the molecular formula C11H10BrCl and a molecular weight of 257.56 g/mol. Its IUPAC name is [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
PubChem CID125477290
Molecular FormulaC11H10BrCl
Molecular Weight257.56 g/mol
Exact Mass255.97
IUPAC Name[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
SMILESC=CC/C(Br)=C(/Cl)c1ccccc1
InChIInChI=1S/C11H10BrCl/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/b11-10-
InChIKeyJGQHBFPYJCGFFG-KHPPLWFESA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene
CID 73294060
(2,2-dibromo-1-chloroethenyl)benzene
CID 154173711
(2E)-1-(4-chlorophenyl)-2-[chloro(phenyl)methylidene]pent-4-en-1-one
CID 132603635
N-hydroperoxy-1-phenylbut-3-en-1-imine
CID 87907141
1-phenylbut-3-ene-1-thione
CID 23072627
magnesium;1-phenylbut-3-enylideneazanide;chloride
CID 10013141
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
N,1-diphenylbut-3-en-1-imine
CID 12676193
1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene
CID 125477421
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
azane;3-chloroprop-1-ene;1,2-diphenylethane-1,2-dione
CID 70188941

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene?
The IUPAC name of [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene (CID 125477290) is [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene.
What is the SMILES notation for [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene?
The canonical SMILES for [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene is C=CC/C(Br)=C(/Cl)c1ccccc1.
What is the InChIKey of [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene?
The InChIKey is JGQHBFPYJCGFFG-KHPPLWFESA-N. The full InChI is InChI=1S/C11H10BrCl/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/b11-10-.
What are the key properties of [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene?
[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene has a molecular weight of 257.56 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene is sourced from PubChem (CID 125477290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).