2-phenoxyoxane

• ChemBase ID: 815824
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: O1C(CCCC1)Oc1ccccc1
• Canonical SMILES: C1CCC(OC1)Oc1ccccc1
• InChI: InChI=1S/C11H14O2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2
• InChIKey: SHRDVLUJLDYXSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyoxane
• IUPAC Traditional name: 2-phenoxyoxane
• Synonyms: 2-PHENOXYTETRAHYDROPYRAN

Database IDs

• CAS Number: 4203-50-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7161417
• LogD (pH = 7.4): 2.7161417
• Log P: 2.7161417
• Molar Refractivity: 50.5547 cm^3
• Polarizability: 20.17337 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%