1-(2,2-dichlorocyclopropyl)-2-methylbenzene

• ChemBase ID: 122881
• Molecular Formular: C10H10Cl2
• Molecular Mass: 201.0924
• Monoisotopic Mass: 200.01595568
• SMILES: C1(C(C1)c1c(C)cccc1)(Cl)Cl
• Canonical SMILES: Cc1ccccc1C1CC1(Cl)Cl
• InChI: InChI=1S/C10H10Cl2/c1-7-4-2-3-5-8(7)9-6-10(9,11)12/h2-5,9H,6H2,1H3
• InChIKey: YEPDCKKYIGBSGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dichlorocyclopropyl)-2-methylbenzene
• IUPAC Traditional name: 1-(2,2-dichlorocyclopropyl)-2-methylbenzene
• Synonyms: 1-(2,2-dichlorocyclopropyl)-2-methylbenzene

Database IDs

• PubChem SID: 162217234
• PubChem CID: 15258973

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8139656
• LogD (pH = 7.4): 3.8139656
• Log P: 3.8139656
• Molar Refractivity: 53.7884 cm^3
• Polarizability: 20.462526 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true