1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene

C14H19Cl — CID 130489186

IUPAC1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene
SMILESCCc1ccc(C2C(CCl)C2(C)C)cc1
InChIInChI=1S/C14H19Cl/c1-4-10-5-7-11(8-6-10)13-12(9-15)14(13,2)3/h5-8,12-13H,4,9H2,1-3H3
InChIKeyRPOGRHNQRIHAIB-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.23
Rot. Bonds3

About 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene

1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene (PubChem CID 130489186) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene
PubChem CID130489186
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene
SMILESCCc1ccc(C2C(CCl)C2(C)C)cc1
InChIInChI=1S/C14H19Cl/c1-4-10-5-7-11(8-6-10)13-12(9-15)14(13,2)3/h5-8,12-13H,4,9H2,1-3H3
InChIKeyRPOGRHNQRIHAIB-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.23
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-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene?
The IUPAC name of 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene (CID 130489186) is 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene.
What is the SMILES notation for 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene?
The canonical SMILES for 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene is CCc1ccc(C2C(CCl)C2(C)C)cc1.
What is the InChIKey of 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene?
The InChIKey is RPOGRHNQRIHAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-4-10-5-7-11(8-6-10)13-12(9-15)14(13,2)3/h5-8,12-13H,4,9H2,1-3H3.
What are the key properties of 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene?
1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)-2,2-dimethylcyclopropyl]-4-ethylbenzene is sourced from PubChem (CID 130489186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).