2-(4-methoxyphenyl)oxolane

• ChemBase ID: 63946
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: c1(ccc(OC)cc1)C1OCCC1
• Canonical SMILES: COc1ccc(cc1)C1CCCO1
• InChI: InChI=1S/C11H14O2/c1-12-10-6-4-9(5-7-10)11-3-2-8-13-11/h4-7,11H,2-3,8H2,1H3
• InChIKey: SYLBBJRVLCOCTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)oxolane
• IUPAC Traditional name: 2-(4-methoxyphenyl)oxolane
• Synonyms: 2-(4-Methoxyphenyl)-tetrahydrofuran

Database IDs

• CAS Number: 79623-15-7
• MDL Number: MFCD00970923
• PubChem SID: 162029685
• PubChem CID: 4357092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.156916
• LogD (pH = 7.4): 2.156916
• Log P: 2.156916
• Molar Refractivity: 51.2995 cm^3
• Polarizability: 20.167925 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%