1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene

C14H8Br2Cl2 — CID 89425176

IUPAC1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene
SMILESClc1ccc(Br)c(/C=C\c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H8Br2Cl2/c15-13-5-3-11(17)7-9(13)1-2-10-8-12(18)4-6-14(10)16/h1-8H/b2-1-
InChIKeyRVMQDHVREZMXTM-UPHRSURJSA-N
MW406.93 g/mol
LogP6.69
Rot. Bonds2

About 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene

1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene (PubChem CID 89425176) has the molecular formula C14H8Br2Cl2 and a molecular weight of 406.93 g/mol. Its IUPAC name is 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene
PubChem CID89425176
Molecular FormulaC14H8Br2Cl2
Molecular Weight406.93 g/mol
Exact Mass403.84
IUPAC Name1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene
SMILESClc1ccc(Br)c(/C=C\c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H8Br2Cl2/c15-13-5-3-11(17)7-9(13)1-2-10-8-12(18)4-6-14(10)16/h1-8H/b2-1-
InChIKeyRVMQDHVREZMXTM-UPHRSURJSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.93
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene 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-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene?
The IUPAC name of 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene (CID 89425176) is 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene?
The canonical SMILES for 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene is Clc1ccc(Br)c(/C=C\c2cc(Cl)ccc2Br)c1.
What is the InChIKey of 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene?
The InChIKey is RVMQDHVREZMXTM-UPHRSURJSA-N. The full InChI is InChI=1S/C14H8Br2Cl2/c15-13-5-3-11(17)7-9(13)1-2-10-8-12(18)4-6-14(10)16/h1-8H/b2-1-.
What are the key properties of 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene?
1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene has a molecular weight of 406.93 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene is sourced from PubChem (CID 89425176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).