1,3-dichloro-5-ethenylbenzene

C8H6Cl2 — CID 519875

IUPAC1,3-dichloro-5-ethenylbenzene
SMILESC=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2
InChIKeyRVZNTKZAFRNXIK-UHFFFAOYSA-N
MW173.04 g/mol
LogP3.64
Rot. Bonds1

About 1,3-dichloro-5-ethenylbenzene

1,3-dichloro-5-ethenylbenzene (PubChem CID 519875) has the molecular formula C8H6Cl2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 1,3-dichloro-5-ethenylbenzene.

Molecular Properties

Compound Name1,3-dichloro-5-ethenylbenzene
PubChem CID519875
Molecular FormulaC8H6Cl2
Molecular Weight173.04 g/mol
Exact Mass171.98
IUPAC Name1,3-dichloro-5-ethenylbenzene
SMILESC=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2
InChIKeyRVZNTKZAFRNXIK-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-ethenylbenzene?
The IUPAC name of 1,3-dichloro-5-ethenylbenzene (CID 519875) is 1,3-dichloro-5-ethenylbenzene.
What is the SMILES notation for 1,3-dichloro-5-ethenylbenzene?
The canonical SMILES for 1,3-dichloro-5-ethenylbenzene is C=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-ethenylbenzene?
The InChIKey is RVZNTKZAFRNXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2.
What are the key properties of 1,3-dichloro-5-ethenylbenzene?
1,3-dichloro-5-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 1,3-dichloro-5-ethenylbenzene is sourced from PubChem (CID 519875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).