methyl 2-[4-(2-aminophenoxy)phenyl]acetate

• ChemBase ID: 19552
• Molecular Formular: C15H15NO3
• Molecular Mass: 257.2845
• Monoisotopic Mass: 257.10519335
• SMILES: c1(Oc2ccc(CC(=O)OC)cc2)c(N)cccc1
• Canonical SMILES: COC(=O)Cc1ccc(cc1)Oc1ccccc1N
• InChI: InChI=1S/C15H15NO3/c1-18-15(17)10-11-6-8-12(9-7-11)19-14-5-3-2-4-13(14)16/h2-9H,10,16H2,1H3
• InChIKey: GIRDVDVVIYAPND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[4-(2-aminophenoxy)phenyl]acetate
• IUPAC Traditional name: methyl 2-[4-(2-aminophenoxy)phenyl]acetate
• Synonyms: Methyl 2-[4-(2-aminophenoxy)phenyl]acetate

Database IDs

• MDL Number: MFCD08688149
• PubChem SID: 160982859
• PubChem CID: 26189130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4268968
• LogD (pH = 7.4): 2.4282324
• Log P: 2.4282494
• Molar Refractivity: 73.0759 cm^3
• Polarizability: 28.081066 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false