1-(1-chloroethenyl)-4-ethenylbenzene

C10H9Cl — CID 58298786

IUPAC1-(1-chloroethenyl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(=C)Cl)cc1
InChIInChI=1S/C10H9Cl/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1-2H2
InChIKeyWJFCVVZQVOJKEX-UHFFFAOYSA-N
MW164.63 g/mol
LogP3.54
Rot. Bonds2

About 1-(1-chloroethenyl)-4-ethenylbenzene

1-(1-chloroethenyl)-4-ethenylbenzene (PubChem CID 58298786) has the molecular formula C10H9Cl and a molecular weight of 164.63 g/mol. Its IUPAC name is 1-(1-chloroethenyl)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(1-chloroethenyl)-4-ethenylbenzene
PubChem CID58298786
Molecular FormulaC10H9Cl
Molecular Weight164.63 g/mol
Exact Mass164.04
IUPAC Name1-(1-chloroethenyl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(=C)Cl)cc1
InChIInChI=1S/C10H9Cl/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1-2H2
InChIKeyWJFCVVZQVOJKEX-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)-4-ethenylbenzene?
The IUPAC name of 1-(1-chloroethenyl)-4-ethenylbenzene (CID 58298786) is 1-(1-chloroethenyl)-4-ethenylbenzene.
What is the SMILES notation for 1-(1-chloroethenyl)-4-ethenylbenzene?
The canonical SMILES for 1-(1-chloroethenyl)-4-ethenylbenzene is C=Cc1ccc(C(=C)Cl)cc1.
What is the InChIKey of 1-(1-chloroethenyl)-4-ethenylbenzene?
The InChIKey is WJFCVVZQVOJKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1-2H2.
What are the key properties of 1-(1-chloroethenyl)-4-ethenylbenzene?
1-(1-chloroethenyl)-4-ethenylbenzene has a molecular weight of 164.63 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethenyl)-4-ethenylbenzene is sourced from PubChem (CID 58298786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).