3-phenoxypyrrolidine

• ChemBase ID: 275044
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: N1CCC(Oc2ccccc2)C1
• Canonical SMILES: C1NCC(C1)Oc1ccccc1
• InChI: InChI=1S/C10H13NO/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-11H,6-8H2
• InChIKey: SKHPQIQATRHESG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxypyrrolidine
• IUPAC Traditional name: 3-phenoxypyrrolidine
• Synonyms: 3-phenoxypyrrolidine

Database IDs

• CAS Number: 931581-76-9
• MDL Number: MFCD08688473
• PubChem SID: 164330954
• PubChem CID: 14497352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8310982
• LogD (pH = 7.4): -1.3459517
• Log P: 1.399373
• Molar Refractivity: 47.8122 cm^3
• Polarizability: 19.179514 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%