3-(2-methoxyphenoxy)-1-(oxolan-3-ylmethyl)azetidine

• ChemBase ID: 703000
• Molecular Formular: C15H21NO3
• Molecular Mass: 263.33214
• Monoisotopic Mass: 263.15214354
• SMILES: N1(CC(Oc2c(OC)cccc2)C1)CC1COCC1
• Canonical SMILES: COc1ccccc1OC1CN(C1)CC1COCC1
• InChI: InChI=1S/C15H21NO3/c1-17-14-4-2-3-5-15(14)19-13-9-16(10-13)8-12-6-7-18-11-12/h2-5,12-13H,6-11H2,1H3
• InChIKey: BLCZTXYAJVEIFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-1-(oxolan-3-ylmethyl)azetidine
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-1-(oxolan-3-ylmethyl)azetidine
• Synonyms: 3-(2-methoxyphenoxy)-1-(tetrahydro-3-furanylmethyl)azetidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.10725678
• LogD (pH = 7.4): 1.3755622
• Log P: 1.5835649
• Molar Refractivity: 73.2984 cm^3
• Polarizability: 29.016718 Å^3
• Polar Surface Area: 30.93 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 1.43
• LOG S: -1.33
• Polar Surface Area: 30.93 Å^2