methyl 4-(2-aminophenoxy)benzoate

• ChemBase ID: 19545
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(c1ccc(Oc2c(N)cccc2)cc1)OC
• Canonical SMILES: COC(=O)c1ccc(cc1)Oc1ccccc1N
• InChI: InChI=1S/C14H13NO3/c1-17-14(16)10-6-8-11(9-7-10)18-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3
• InChIKey: WUELUEATXCULFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-(2-aminophenoxy)benzoate
• IUPAC Traditional name: methyl 4-(2-aminophenoxy)benzoate
• Synonyms: Methyl 4-(2-aminophenoxy)benzoate

Database IDs

• MDL Number: MFCD08688148
• PubChem SID: 160982852
• PubChem CID: 26189122

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6470664
• LogD (pH = 7.4): 2.6480713
• Log P: 2.648084
• Molar Refractivity: 69.0245 cm^3
• Polarizability: 26.213484 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false