1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene

C14H10Cl2 — CID 66772159

IUPAC1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(C=Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H
InChIKeyQRSSLJASOWAIAE-UHFFFAOYSA-N
MW249.14 g/mol
LogP5.16
Rot. Bonds2

About 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene

1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene (PubChem CID 66772159) has the molecular formula C14H10Cl2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
PubChem CID66772159
Molecular FormulaC14H10Cl2
Molecular Weight249.14 g/mol
Exact Mass248.02
IUPAC Name1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(C=Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H
InChIKeyQRSSLJASOWAIAE-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.14
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[2-(4-chlorophenyl)ethenyl]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)-2-(3-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650304
3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde
CID 122476033
3-(3-chlorophenyl)prop-2-enal
CID 2763111
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene;[(E)-3,3-dimethylbut-1-enyl]benzene
CID 158437299
1-chloro-3-[(E)-2-nitrosoethenyl]benzene
CID 174857866
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342
[(E)-2-(3-chlorophenyl)ethenyl]-trimethylsilane
CID 15743326
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
N-[4-(3-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
CID 85438917
3-chloro-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(3-chlorophenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900174

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene (CID 66772159) is 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene is Clc1ccc(C=Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene?
The InChIKey is QRSSLJASOWAIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H.
What are the key properties of 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene?
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene has a molecular weight of 249.14 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene is sourced from PubChem (CID 66772159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).