2-phenyloxolane

• ChemBase ID: 63945
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: C1(OCCC1)c1ccccc1
• Canonical SMILES: C1COC(C1)c1ccccc1
• InChI: InChI=1S/C10H12O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10H,4,7-8H2
• InChIKey: TZYYJCQVZHDEMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyloxolane
• IUPAC Traditional name: 2-phenyloxolane
• Synonyms: 2-Phenyl-tetrahydrofuran

Database IDs

• CAS Number: 16133-83-8
• MDL Number: MFCD00961901
• PubChem SID: 162029684
• PubChem CID: 11389473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.314587
• LogD (pH = 7.4): 2.314587
• Log P: 2.314587
• Molar Refractivity: 44.8363 cm^3
• Polarizability: 17.668344 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%