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

• ChemBase ID: 235521
• Molecular Formular: C9H10Cl2O
• Molecular Mass: 205.0811
• Monoisotopic Mass: 204.0108703
• SMILES: c1(c(Cl)cccc1Cl)C(O)CC
• Canonical SMILES: CCC(c1c(Cl)cccc1Cl)O
• InChI: InChI=1S/C9H10Cl2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
• InChIKey: DNYNWOGJNPYFFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19601668
• PubChem SID: 164291431
• PubChem CID: 12105278

CALCULATED PROPERTIES

• Acid pKa: 14.057419
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.353083
• LogD (pH = 7.4): 3.3530827
• Log P: 3.353083
• Molar Refractivity: 51.4263 cm^3
• Polarizability: 20.23692 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.368

Product Information

• Purity: 95%