1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene

C12H15Cl — CID 81357781

IUPAC1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene
SMILESCc1cccc(C2CC2CCl)c1C
InChIInChI=1S/C12H15Cl/c1-8-4-3-5-11(9(8)2)12-6-10(12)7-13/h3-5,10,12H,6-7H2,1-2H3
InChIKeyOKYLBLWORZAPSX-UHFFFAOYSA-N
MW194.71 g/mol
LogP3.65
Rot. Bonds2

About 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene

1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene (PubChem CID 81357781) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene
PubChem CID81357781
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene
SMILESCc1cccc(C2CC2CCl)c1C
InChIInChI=1S/C12H15Cl/c1-8-4-3-5-11(9(8)2)12-6-10(12)7-13/h3-5,10,12H,6-7H2,1-2H3
InChIKeyOKYLBLWORZAPSX-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 53.65
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)cyclopropyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene (CID 81357781) is 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene is Cc1cccc(C2CC2CCl)c1C.
What is the InChIKey of 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene?
The InChIKey is OKYLBLWORZAPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-8-4-3-5-11(9(8)2)12-6-10(12)7-13/h3-5,10,12H,6-7H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene?
1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene has a molecular weight of 194.71 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene is sourced from PubChem (CID 81357781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).