1-(2,2-dichlorocyclopropyl)-4-methoxybenzene

• ChemBase ID: 83398
• Molecular Formular: C10H10Cl2O
• Molecular Mass: 217.0918
• Monoisotopic Mass: 216.0108703
• SMILES: O(c1ccc(cc1)C1C(C1)(Cl)Cl)C
• Canonical SMILES: COc1ccc(cc1)C1CC1(Cl)Cl
• InChI: InChI=1S/C10H10Cl2O/c1-13-8-4-2-7(3-5-8)9-6-10(9,11)12/h2-5,9H,6H2,1H3
• InChIKey: SBGFWNANAXOZEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dichlorocyclopropyl)-4-methoxybenzene
• IUPAC Traditional name: 1-(2,2-dichlorocyclopropyl)-4-methoxybenzene
• Synonyms: 1-(2,2-Dichlorocyclopropyl)-4-methoxybenzene

Database IDs

• MDL Number: MFCD00100730
• PubChem SID: 162070516
• PubChem CID: 2780231

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1428728
• LogD (pH = 7.4): 3.1428728
• Log P: 3.1428728
• Molar Refractivity: 55.2104 cm^3
• Polarizability: 21.24312 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant