3-chloro-1,2-bis(ethenyl)-4-methylbenzene

C11H11Cl — CID 156751029

IUPAC3-chloro-1,2-bis(ethenyl)-4-methylbenzene
SMILESC=Cc1ccc(C)c(Cl)c1C=C
InChIInChI=1S/C11H11Cl/c1-4-9-7-6-8(3)11(12)10(9)5-2/h4-7H,1-2H2,3H3
InChIKeyMGGLWEJDLUIIJE-UHFFFAOYSA-N
MW178.66 g/mol
LogP3.93
Rot. Bonds2

About 3-chloro-1,2-bis(ethenyl)-4-methylbenzene

3-chloro-1,2-bis(ethenyl)-4-methylbenzene (PubChem CID 156751029) has the molecular formula C11H11Cl and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-chloro-1,2-bis(ethenyl)-4-methylbenzene.

Molecular Properties

Compound Name3-chloro-1,2-bis(ethenyl)-4-methylbenzene
PubChem CID156751029
Molecular FormulaC11H11Cl
Molecular Weight178.66 g/mol
Exact Mass178.05
IUPAC Name3-chloro-1,2-bis(ethenyl)-4-methylbenzene
SMILESC=Cc1ccc(C)c(Cl)c1C=C
InChIInChI=1S/C11H11Cl/c1-4-9-7-6-8(3)11(12)10(9)5-2/h4-7H,1-2H2,3H3
InChIKeyMGGLWEJDLUIIJE-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-bis(ethenyl)-4-methylbenzene?
The IUPAC name of 3-chloro-1,2-bis(ethenyl)-4-methylbenzene (CID 156751029) is 3-chloro-1,2-bis(ethenyl)-4-methylbenzene.
What is the SMILES notation for 3-chloro-1,2-bis(ethenyl)-4-methylbenzene?
The canonical SMILES for 3-chloro-1,2-bis(ethenyl)-4-methylbenzene is C=Cc1ccc(C)c(Cl)c1C=C.
What is the InChIKey of 3-chloro-1,2-bis(ethenyl)-4-methylbenzene?
The InChIKey is MGGLWEJDLUIIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl/c1-4-9-7-6-8(3)11(12)10(9)5-2/h4-7H,1-2H2,3H3.
What are the key properties of 3-chloro-1,2-bis(ethenyl)-4-methylbenzene?
3-chloro-1,2-bis(ethenyl)-4-methylbenzene has a molecular weight of 178.66 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-bis(ethenyl)-4-methylbenzene is sourced from PubChem (CID 156751029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).