2-(4-phenoxyphenoxy)propan-1-ol

• ChemBase ID: 262756
• Molecular Formular: C15H16O3
• Molecular Mass: 244.28574
• Monoisotopic Mass: 244.10994437
• SMILES: O(c1ccc(OC(CO)C)cc1)c1ccccc1
• Canonical SMILES: OCC(Oc1ccc(cc1)Oc1ccccc1)C
• InChI: InChI=1S/C15H16O3/c1-12(11-16)17-14-7-9-15(10-8-14)18-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3
• InChIKey: BBBKSJXFNNKBST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenoxyphenoxy)propan-1-ol
• IUPAC Traditional name: 2-(4-phenoxyphenoxy)propan-1-ol
• Synonyms: 2-(4-phenoxyphenoxy)propan-1-ol

Database IDs

• MDL Number: MFCD13195874
• PubChem SID: 164318666
• PubChem CID: 9816278

CALCULATED PROPERTIES

• Acid pKa: 14.667867
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0423348
• LogD (pH = 7.4): 3.0423348
• Log P: 3.0423348
• Molar Refractivity: 69.4731 cm^3
• Polarizability: 27.475756 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.595

Product Information

• Purity: 95%