2-[2-(oxan-2-yloxy)phenoxy]oxane

• ChemBase ID: 83417
• Molecular Formular: C16H22O4
• Molecular Mass: 278.34348
• Monoisotopic Mass: 278.15180918
• SMILES: O(c1ccccc1OC1OCCCC1)C1OCCCC1
• Canonical SMILES: C1CCC(OC1)Oc1ccccc1OC1CCCCO1
• InChI: InChI=1S/C16H22O4/c1-2-8-14(20-16-10-4-6-12-18-16)13(7-1)19-15-9-3-5-11-17-15/h1-2,7-8,15-16H,3-6,9-12H2
• InChIKey: CGDFSRCYTFGOIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(oxan-2-yloxy)phenoxy]oxane
• IUPAC Traditional name: 2-[2-(oxan-2-yloxy)phenoxy]oxane
• Synonyms: 2-[2-(tetrahydro-2H-pyran-2-yloxy)phenoxy]tetrahydro-2H-pyran

Database IDs

• MDL Number: MFCD00054558
• PubChem SID: 162070535
• PubChem CID: 2780261

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4590378
• LogD (pH = 7.4): 3.4590378
• Log P: 3.4590378
• Molar Refractivity: 75.0514 cm^3
• Polarizability: 30.027578 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true