[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene

C11H10BrCl — CID 102383415

IUPAC[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
SMILESCC(/C=C/c1ccccc1)=C(\Cl)Br
InChIInChI=1S/C11H10BrCl/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+,11-9+
InChIKeyJAEYOCDQNKEQHJ-MFDVASPDSA-N
MW257.56 g/mol
LogP4.57
Rot. Bonds2

About [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene

[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene (PubChem CID 102383415) has the molecular formula C11H10BrCl and a molecular weight of 257.56 g/mol. Its IUPAC name is [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
PubChem CID102383415
Molecular FormulaC11H10BrCl
Molecular Weight257.56 g/mol
Exact Mass255.97
IUPAC Name[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
SMILESCC(/C=C/c1ccccc1)=C(\Cl)Br
InChIInChI=1S/C11H10BrCl/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+,11-9+
InChIKeyJAEYOCDQNKEQHJ-MFDVASPDSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

Analyze [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-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,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 11680420
2-(4-phenylbut-3-en-2-ylidene)propanedioic acid
CID 85132493
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374
[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene
CID 162275841
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol
CID 19013042
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene (CID 102383415) is [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene is CC(/C=C/c1ccccc1)=C(\Cl)Br.
What is the InChIKey of [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene?
The InChIKey is JAEYOCDQNKEQHJ-MFDVASPDSA-N. The full InChI is InChI=1S/C11H10BrCl/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+,11-9+.
What are the key properties of [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene?
[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene has a molecular weight of 257.56 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 102383415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).