1-(2-chloroethenyl)-2,4-dimethylbenzene

C10H11Cl — CID 54480012

IUPAC1-(2-chloroethenyl)-2,4-dimethylbenzene
SMILESCc1ccc(C=CCl)c(C)c1
InChIInChI=1S/C10H11Cl/c1-8-3-4-10(5-6-11)9(2)7-8/h3-7H,1-2H3
InChIKeyXOINERJRMIFSIP-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.51
Rot. Bonds1

About 1-(2-chloroethenyl)-2,4-dimethylbenzene

1-(2-chloroethenyl)-2,4-dimethylbenzene (PubChem CID 54480012) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-(2-chloroethenyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2-chloroethenyl)-2,4-dimethylbenzene
PubChem CID54480012
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-(2-chloroethenyl)-2,4-dimethylbenzene
SMILESCc1ccc(C=CCl)c(C)c1
InChIInChI=1S/C10H11Cl/c1-8-3-4-10(5-6-11)9(2)7-8/h3-7H,1-2H3
InChIKeyXOINERJRMIFSIP-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

O-Xylene
CID 7237
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864
2-Methylstyrene
CID 11904
p-alpha-Dimethyl styrene
CID 62385
M-Cymene
CID 10812
3-Ethyltoluene
CID 12100
O-Cymene
CID 10703
1,2-Diethylbenzene
CID 8657

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethenyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(2-chloroethenyl)-2,4-dimethylbenzene (CID 54480012) is 1-(2-chloroethenyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2-chloroethenyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2-chloroethenyl)-2,4-dimethylbenzene is Cc1ccc(C=CCl)c(C)c1.
What is the InChIKey of 1-(2-chloroethenyl)-2,4-dimethylbenzene?
The InChIKey is XOINERJRMIFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-8-3-4-10(5-6-11)9(2)7-8/h3-7H,1-2H3.
What are the key properties of 1-(2-chloroethenyl)-2,4-dimethylbenzene?
1-(2-chloroethenyl)-2,4-dimethylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethenyl)-2,4-dimethylbenzene is sourced from PubChem (CID 54480012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).