1-chloro-4-ethenyl-2-ethylbenzene

C10H11Cl — CID 118268991

IUPAC1-chloro-4-ethenyl-2-ethylbenzene
SMILESC=Cc1ccc(Cl)c(CC)c1
InChIInChI=1S/C10H11Cl/c1-3-8-5-6-10(11)9(4-2)7-8/h3,5-7H,1,4H2,2H3
InChIKeyYUDDMFKRRQVICP-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.55
Rot. Bonds2

About 1-chloro-4-ethenyl-2-ethylbenzene

1-chloro-4-ethenyl-2-ethylbenzene (PubChem CID 118268991) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-chloro-4-ethenyl-2-ethylbenzene.

Molecular Properties

Compound Name1-chloro-4-ethenyl-2-ethylbenzene
PubChem CID118268991
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-chloro-4-ethenyl-2-ethylbenzene
SMILESC=Cc1ccc(Cl)c(CC)c1
InChIInChI=1S/C10H11Cl/c1-3-8-5-6-10(11)9(4-2)7-8/h3,5-7H,1,4H2,2H3
InChIKeyYUDDMFKRRQVICP-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenyl-2-ethylbenzene?
The IUPAC name of 1-chloro-4-ethenyl-2-ethylbenzene (CID 118268991) is 1-chloro-4-ethenyl-2-ethylbenzene.
What is the SMILES notation for 1-chloro-4-ethenyl-2-ethylbenzene?
The canonical SMILES for 1-chloro-4-ethenyl-2-ethylbenzene is C=Cc1ccc(Cl)c(CC)c1.
What is the InChIKey of 1-chloro-4-ethenyl-2-ethylbenzene?
The InChIKey is YUDDMFKRRQVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-8-5-6-10(11)9(4-2)7-8/h3,5-7H,1,4H2,2H3.
What are the key properties of 1-chloro-4-ethenyl-2-ethylbenzene?
1-chloro-4-ethenyl-2-ethylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenyl-2-ethylbenzene is sourced from PubChem (CID 118268991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).