1-(chloromethyl)-4-ethenyl-2-ethylbenzene

C₁₁H₁₃Cl — CID 19883810

About 1-(chloromethyl)-4-ethenyl-2-ethylbenzene

1-(chloromethyl)-4-ethenyl-2-ethylbenzene (PubChem CID 19883810) has the molecular formula C₁₁H₁₃Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-(chloromethyl)-4-ethenyl-2-ethylbenzene.

Molecular Properties

• Compound Name: 1-(chloromethyl)-4-ethenyl-2-ethylbenzene
• PubChem CID: 19883810
• Molecular Formula: C₁₁H₁₃Cl
• Molecular Weight: 180.68 g/mol
• Exact Mass: 180.07
• IUPAC Name: 1-(chloromethyl)-4-ethenyl-2-ethylbenzene
• SMILES: C=Cc1ccc(CCl)c(CC)c1
• InChI: InChI=1S/C11H13Cl/c1-3-9-5-6-11(8-12)10(4-2)7-9/h3,5-7H,1,4,8H2,2H3
• InChIKey: WGPKBVSALADVKY-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.68
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-ethenyl-2-ethylbenzene?

The IUPAC name of 1-(chloromethyl)-4-ethenyl-2-ethylbenzene (CID 19883810) is 1-(chloromethyl)-4-ethenyl-2-ethylbenzene.

What is the SMILES notation for 1-(chloromethyl)-4-ethenyl-2-ethylbenzene?

The canonical SMILES for 1-(chloromethyl)-4-ethenyl-2-ethylbenzene is C=Cc1ccc(CCl)c(CC)c1.

What is the InChIKey of 1-(chloromethyl)-4-ethenyl-2-ethylbenzene?

The InChIKey is WGPKBVSALADVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-3-9-5-6-11(8-12)10(4-2)7-9/h3,5-7H,1,4,8H2,2H3.

What are the key properties of 1-(chloromethyl)-4-ethenyl-2-ethylbenzene?

1-(chloromethyl)-4-ethenyl-2-ethylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(chloromethyl)-4-ethenyl-2-ethylbenzene is sourced from PubChem (CID 19883810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19883810 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.