1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene

C10H9Cl3 — CID 131856850

IUPAC1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene
SMILESC/C(=C\CCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl3/c1-7(4-5-11)8-2-3-9(12)10(13)6-8/h2-4,6H,5H2,1H3/b7-4+
InChIKeyNVETUQRDEAZBEV-QPJJXVBHSA-N
MW235.54 g/mol
LogP4.64
Rot. Bonds2

About 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene

1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene (PubChem CID 131856850) has the molecular formula C10H9Cl3 and a molecular weight of 235.54 g/mol. Its IUPAC name is 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene
PubChem CID131856850
Molecular FormulaC10H9Cl3
Molecular Weight235.54 g/mol
Exact Mass233.98
IUPAC Name1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene
SMILESC/C(=C\CCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl3/c1-7(4-5-11)8-2-3-9(12)10(13)6-8/h2-4,6H,5H2,1H3/b7-4+
InChIKeyNVETUQRDEAZBEV-QPJJXVBHSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-[(E)-4-chlorobut-2-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

4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
CID 87184625
1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene
CID 89400242
4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide
CID 54349510
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
1-(3,4-dichlorophenyl)propane-1-thione
CID 91756845
(E)-2-(3,4-dichlorophenyl)-3-hydroxyprop-2-enal
CID 51372688
2-oxopropyl 3,4-dichlorobenzoate
CID 954374
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene
CID 67122554
2-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-1-(3,4-dichlorophenyl)ethanone
CID 163926312

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene (CID 131856850) is 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene is C/C(=C\CCl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene?
The InChIKey is NVETUQRDEAZBEV-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H9Cl3/c1-7(4-5-11)8-2-3-9(12)10(13)6-8/h2-4,6H,5H2,1H3/b7-4+.
What are the key properties of 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene?
1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene has a molecular weight of 235.54 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene is sourced from PubChem (CID 131856850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).