2,4-dichloro-1-[(2,2-dichlorocyclopropyl)methoxy]benzene

• ChemBase ID: 83411
• Molecular Formular: C10H8Cl4O
• Molecular Mass: 285.98192
• Monoisotopic Mass: 283.9329256
• SMILES: O(c1c(cc(cc1)Cl)Cl)CC1C(C1)(Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)OCC1CC1(Cl)Cl
• InChI: InChI=1S/C10H8Cl4O/c11-7-1-2-9(8(12)3-7)15-5-6-4-10(6,13)14/h1-3,6H,4-5H2
• InChIKey: RBEJKJQXLIFKMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1-[(2,2-dichlorocyclopropyl)methoxy]benzene
• IUPAC Traditional name: 2,4-dichloro-1-[(2,2-dichlorocyclopropyl)methoxy]benzene
• Synonyms: 2,4-dichloro-1-[(2,2-dichlorocyclopropyl)methoxy]benzene

Database IDs

• MDL Number: MFCD00100729
• PubChem SID: 162070529
• PubChem CID: 2780251

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5333815
• LogD (pH = 7.4): 4.5333815
• Log P: 4.5333815
• Molar Refractivity: 64.0896 cm^3
• Polarizability: 25.21583 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true