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

• ChemBase ID: 235983
• Molecular Formular: C9H10Cl2O
• Molecular Mass: 205.0811
• Monoisotopic Mass: 204.0108703
• SMILES: c1(c(Cl)cccc1Cl)CC(O)C
• Canonical SMILES: CC(Cc1c(Cl)cccc1Cl)O
• InChI: InChI=1S/C9H10Cl2O/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4,6,12H,5H2,1H3
• InChIKey: IBZNHQGQLNNWPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16103842
• PubChem SID: 164291893
• PubChem CID: 57812365

CALCULATED PROPERTIES

• Acid pKa: 15.422425
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1192217
• LogD (pH = 7.4): 3.1192217
• Log P: 3.1192217
• Molar Refractivity: 51.6573 cm^3
• Polarizability: 20.156282 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.068

Product Information

• Purity: 95%