2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene

C15H10BrCl3 — CID 88702809

IUPAC2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene
SMILESClC/C(=C(\Cl)c1ccccc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H10BrCl3/c16-14-8-11(18)6-7-12(14)13(9-17)15(19)10-4-2-1-3-5-10/h1-8H,9H2/b15-13+
InChIKeyDAJKDWYCEJIJIP-FYWRMAATSA-N
MW376.51 g/mol
LogP6.45
Rot. Bonds3

About 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene

2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene (PubChem CID 88702809) has the molecular formula C15H10BrCl3 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene
PubChem CID88702809
Molecular FormulaC15H10BrCl3
Molecular Weight376.51 g/mol
Exact Mass373.90
IUPAC Name2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene
SMILESClC/C(=C(\Cl)c1ccccc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H10BrCl3/c16-14-8-11(18)6-7-12(14)13(9-17)15(19)10-4-2-1-3-5-10/h1-8H,9H2/b15-13+
InChIKeyDAJKDWYCEJIJIP-FYWRMAATSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]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

1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 155819579
1-(4-benzoyl-3-bromophenyl)-2-chloroethanone
CID 174402771
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene (CID 88702809) is 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene is ClC/C(=C(\Cl)c1ccccc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene?
The InChIKey is DAJKDWYCEJIJIP-FYWRMAATSA-N. The full InChI is InChI=1S/C15H10BrCl3/c16-14-8-11(18)6-7-12(14)13(9-17)15(19)10-4-2-1-3-5-10/h1-8H,9H2/b15-13+.
What are the key properties of 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene?
2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene has a molecular weight of 376.51 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-[(Z)-1,3-dichloro-1-phenylprop-1-en-2-yl]benzene is sourced from PubChem (CID 88702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).