3-(2-chlorophenoxy)pyrrolidine

• ChemBase ID: 238664
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: c1(OC2CCNC2)c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1OC1CNCC1
• InChI: InChI=1S/C10H12ClNO/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8,12H,5-7H2
• InChIKey: APUWIMBTIDIKKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenoxy)pyrrolidine
• IUPAC Traditional name: 3-(2-chlorophenoxy)pyrrolidine
• Synonyms: 3-(2-chlorophenoxy)pyrrolidine

Database IDs

• MDL Number: MFCD08687445
• PubChem SID: 164294574
• PubChem CID: 24902291

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.225789
• LogD (pH = 7.4): -0.71025443
• Log P: 2.0034177
• Molar Refractivity: 52.617 cm^3
• Polarizability: 21.050999 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.284

Product Information

• Purity: 95%