1-(2,6-dichlorophenyl)cyclopropan-1-ol

• ChemBase ID: 243097
• Molecular Formular: C9H8Cl2O
• Molecular Mass: 203.06522
• Monoisotopic Mass: 201.99522024
• SMILES: C1(c2c(Cl)cccc2Cl)(CC1)O
• Canonical SMILES: Clc1cccc(c1C1(O)CC1)Cl
• InChI: InChI=1S/C9H8Cl2O/c10-6-2-1-3-7(11)8(6)9(12)4-5-9/h1-3,12H,4-5H2
• InChIKey: IWYYBUFJDSTZOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dichlorophenyl)cyclopropan-1-ol
• IUPAC Traditional name: 1-(2,6-dichlorophenyl)cyclopropan-1-ol
• Synonyms: 1-(2,6-dichlorophenyl)cyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840884
• PubChem SID: 164299007
• PubChem CID: 62669510

CALCULATED PROPERTIES

• Acid pKa: 13.954695
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8033187
• LogD (pH = 7.4): 2.8033185
• Log P: 2.8033187
• Molar Refractivity: 49.5843 cm^3
• Polarizability: 19.522905 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.874

Product Information

• Purity: 95%