1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene

C14H19Cl — CID 81358554

IUPAC1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene
SMILESCCc1ccc(C2(CC)CC2CCl)cc1
InChIInChI=1S/C14H19Cl/c1-3-11-5-7-12(8-6-11)14(4-2)9-13(14)10-15/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyIBAGYZSOSPSPJH-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene

1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene (PubChem CID 81358554) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene
PubChem CID81358554
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene
SMILESCCc1ccc(C2(CC)CC2CCl)cc1
InChIInChI=1S/C14H19Cl/c1-3-11-5-7-12(8-6-11)14(4-2)9-13(14)10-15/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyIBAGYZSOSPSPJH-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene?
The IUPAC name of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene (CID 81358554) is 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene?
The canonical SMILES for 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene is CCc1ccc(C2(CC)CC2CCl)cc1.
What is the InChIKey of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene?
The InChIKey is IBAGYZSOSPSPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-3-11-5-7-12(8-6-11)14(4-2)9-13(14)10-15/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene?
1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene is sourced from PubChem (CID 81358554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).