[4-(4-chlorophenoxy)phenyl]methanol

• ChemBase ID: 797982
• Molecular Formular: C13H11ClO2
• Molecular Mass: 234.67824
• Monoisotopic Mass: 234.04475727
• SMILES: C(O)c1ccc(cc1)Oc1ccc(cc1)Cl
• Canonical SMILES: OCc1ccc(cc1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C13H11ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,15H,9H2
• InChIKey: KJGZOJJWQRGHCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-chlorophenoxy)phenyl]methanol
• IUPAC Traditional name: [4-(4-chlorophenoxy)phenyl]methanol
• Synonyms: [4-(4-Chloro-phenoxy)-phenyl]-methanol

Database IDs

• CAS Number: 93497-08-6

CALCULATED PROPERTIES

• Acid pKa: 14.996404
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3102279
• LogD (pH = 7.4): 3.3102279
• Log P: 3.3102279
• Molar Refractivity: 63.9195 cm^3
• Polarizability: 24.964907 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%