2-(4-phenylphenoxy)ethan-1-ol

• ChemBase ID: 107870
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: OCCOc1ccc(cc1)c1ccccc1
• Canonical SMILES: OCCOc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H14O2/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2
• InChIKey: SYULRPAQEBKROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenoxy)ethan-1-ol
• IUPAC Traditional name: 2-(4-phenylphenoxy)ethanol
• Synonyms: 2-(4-BIPHENYLYLOXY)ETHANOL

Database IDs

• CAS Number: 19070-95-2
• PubChem SID: 162094076
• PubChem CID: 302963

CALCULATED PROPERTIES

• Acid pKa: 15.102173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.772698
• LogD (pH = 7.4): 2.772698
• Log P: 2.772698
• Molar Refractivity: 63.9497 cm^3
• Polarizability: 26.319483 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205282

MP Biomedicals Rare Chemical collection