1-chloro-2-ethenyl-3,5-dimethylbenzene

C10H11Cl — CID 143091149

IUPAC1-chloro-2-ethenyl-3,5-dimethylbenzene
SMILESC=Cc1c(C)cc(C)cc1Cl
InChIInChI=1S/C10H11Cl/c1-4-9-8(3)5-7(2)6-10(9)11/h4-6H,1H2,2-3H3
InChIKeySYUFKQIRRLUDDL-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.60
Rot. Bonds1

About 1-chloro-2-ethenyl-3,5-dimethylbenzene

1-chloro-2-ethenyl-3,5-dimethylbenzene (PubChem CID 143091149) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-3,5-dimethylbenzene
PubChem CID143091149
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-chloro-2-ethenyl-3,5-dimethylbenzene
SMILESC=Cc1c(C)cc(C)cc1Cl
InChIInChI=1S/C10H11Cl/c1-4-9-8(3)5-7(2)6-10(9)11/h4-6H,1H2,2-3H3
InChIKeySYUFKQIRRLUDDL-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-3,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-ethenyl-3,5-dimethylbenzene (CID 143091149) is 1-chloro-2-ethenyl-3,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-ethenyl-3,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-ethenyl-3,5-dimethylbenzene is C=Cc1c(C)cc(C)cc1Cl.
What is the InChIKey of 1-chloro-2-ethenyl-3,5-dimethylbenzene?
The InChIKey is SYUFKQIRRLUDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-4-9-8(3)5-7(2)6-10(9)11/h4-6H,1H2,2-3H3.
What are the key properties of 1-chloro-2-ethenyl-3,5-dimethylbenzene?
1-chloro-2-ethenyl-3,5-dimethylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-3,5-dimethylbenzene is sourced from PubChem (CID 143091149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).