2,4-dichloro-1-ethenylbenzene

C8H6Cl2 — CID 16468

IUPAC2,4-dichloro-1-ethenylbenzene
SMILESC=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InChIKeyOMNYXCUDBQKCMU-UHFFFAOYSA-N
MW173.04 g/mol
LogP3.64
Rot. Bonds1

About 2,4-dichloro-1-ethenylbenzene

2,4-dichloro-1-ethenylbenzene (PubChem CID 16468) has the molecular formula C8H6Cl2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 2,4-dichloro-1-ethenylbenzene.

Molecular Properties

Compound Name2,4-dichloro-1-ethenylbenzene
PubChem CID16468
Molecular FormulaC8H6Cl2
Molecular Weight173.04 g/mol
Exact Mass171.98
IUPAC Name2,4-dichloro-1-ethenylbenzene
SMILESC=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InChIKeyOMNYXCUDBQKCMU-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Chlorotoluene
CID 7810
2,4-Dichlorotoluene
CID 7254
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
O,P'-Dde
CID 246598
2-Chlorostyrene
CID 14906
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
2,2'-Dichlorobiphenyl
CID 25622
2,4'-Dichlorobiphenyl
CID 36982
1-Chloro-4-(chloromethyl)benzene
CID 7723
2,4,4'-Trichlorobiphenyl
CID 23448
Pcb 104
CID 91662

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-ethenylbenzene?
The IUPAC name of 2,4-dichloro-1-ethenylbenzene (CID 16468) is 2,4-dichloro-1-ethenylbenzene.
What is the SMILES notation for 2,4-dichloro-1-ethenylbenzene?
The canonical SMILES for 2,4-dichloro-1-ethenylbenzene is C=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-ethenylbenzene?
The InChIKey is OMNYXCUDBQKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2.
What are the key properties of 2,4-dichloro-1-ethenylbenzene?
2,4-dichloro-1-ethenylbenzene has a molecular weight of 173.04 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-ethenylbenzene is sourced from PubChem (CID 16468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).