2-(2,5-dichlorophenoxy)ethan-1-ol

• ChemBase ID: 268592
• Molecular Formular: C8H8Cl2O2
• Molecular Mass: 207.05392
• Monoisotopic Mass: 205.99013486
• SMILES: c1(cc(ccc1Cl)Cl)OCCO
• Canonical SMILES: OCCOc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C8H8Cl2O2/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5,11H,3-4H2
• InChIKey: FRWAGDUBVWQRJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dichlorophenoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2,5-dichlorophenoxy)ethanol
• Synonyms: 2-(2,5-dichlorophenoxy)ethan-1-ol

Database IDs

• MDL Number: MFCD11614008
• PubChem SID: 164324502
• PubChem CID: 28351715

CALCULATED PROPERTIES

• Acid pKa: 15.102072
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.333562
• LogD (pH = 7.4): 2.333562
• Log P: 2.333562
• Molar Refractivity: 48.4231 cm^3
• Polarizability: 19.143991 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 2.573

Product Information

• Purity: 95%