1-chloro-4-ethenylbenzene;2-chloroethenylbenzene

C16H14Cl2 — CID 158705865

IUPAC1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
SMILESC=Cc1ccc(Cl)cc1.ClC=Cc1ccccc1
InChIInChI=1S/2C8H7Cl/c1-2-7-3-5-8(9)6-4-7;9-7-6-8-4-2-1-3-5-8/h2-6H,1H2;1-7H
InChIKeyIICHZINWNZLECB-UHFFFAOYSA-N
MW277.19 g/mol
LogP5.88
Rot. Bonds2

About 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene

1-chloro-4-ethenylbenzene;2-chloroethenylbenzene (PubChem CID 158705865) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene.

Molecular Properties

Compound Name1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
PubChem CID158705865
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
SMILESC=Cc1ccc(Cl)cc1.ClC=Cc1ccccc1
InChIInChI=1S/2C8H7Cl/c1-2-7-3-5-8(9)6-4-7;9-7-6-8-4-2-1-3-5-8/h2-6H,1H2;1-7H
InChIKeyIICHZINWNZLECB-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloroethenylbenzene;copper
CID 174819686
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CID 158372531
cadmium;styrene
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1-chloro-2-ethenylbenzene;2-chloroethenylbenzene
CID 161200369
magnesium;1-chloro-4-ethenylbenzene;hydride
CID 173109944
alumane;2-chloroethenylbenzene;hydrate
CID 174614142
2-chloroethenylbenzene;methanol
CID 159831331
chloromethane;styrene
CID 122701035
cyclopropane;styrene
CID 173239473
CID 70443008
CID 70443008
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
benzene;ethene;styrene
CID 159006852

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene?
The IUPAC name of 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene (CID 158705865) is 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene.
What is the SMILES notation for 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene?
The canonical SMILES for 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene is C=Cc1ccc(Cl)cc1.ClC=Cc1ccccc1.
What is the InChIKey of 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene?
The InChIKey is IICHZINWNZLECB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7Cl/c1-2-7-3-5-8(9)6-4-7;9-7-6-8-4-2-1-3-5-8/h2-6H,1H2;1-7H.
What are the key properties of 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene?
1-chloro-4-ethenylbenzene;2-chloroethenylbenzene has a molecular weight of 277.19 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylbenzene;2-chloroethenylbenzene is sourced from PubChem (CID 158705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).