1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene

C15H12Cl2 — CID 118370759

IUPAC1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H12Cl2/c1-11-5-7-12(8-6-11)9-10-13-14(16)3-2-4-15(13)17/h2-10H,1H3/b10-9+
InChIKeyGUGBZQABSUGIIO-MDZDMXLPSA-N
MW263.17 g/mol
LogP5.47
Rot. Bonds2

About 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene

1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 118370759) has the molecular formula C15H12Cl2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
PubChem CID118370759
Molecular FormulaC15H12Cl2
Molecular Weight263.17 g/mol
Exact Mass262.03
IUPAC Name1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H12Cl2/c1-11-5-7-12(8-6-11)9-10-13-14(16)3-2-4-15(13)17/h2-10H,1H3/b10-9+
InChIKeyGUGBZQABSUGIIO-MDZDMXLPSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-2-[(E)-2-(4-methylphenyl)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

2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 175740694
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene
CID 144958510
1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
CID 162694789
1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene
CID 173100492
2,4,6-tris[(E)-2-(4-methylphenyl)ethenyl]benzene-1,3,5-tricarbonitrile
CID 101132259

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene (CID 118370759) is 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene is Cc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is GUGBZQABSUGIIO-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12Cl2/c1-11-5-7-12(8-6-11)9-10-13-14(16)3-2-4-15(13)17/h2-10H,1H3/b10-9+.
What are the key properties of 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 263.17 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 118370759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).