methyl 2-amino-5-phenoxybenzoate

• ChemBase ID: 263600
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: c1(C(=O)OC)c(ccc(c1)Oc1ccccc1)N
• Canonical SMILES: COC(=O)c1cc(ccc1N)Oc1ccccc1
• InChI: InChI=1S/C14H13NO3/c1-17-14(16)12-9-11(7-8-13(12)15)18-10-5-3-2-4-6-10/h2-9H,15H2,1H3
• InChIKey: XZBNCQDGQQYUKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-5-phenoxybenzoate
• IUPAC Traditional name: methyl 2-amino-5-phenoxybenzoate
• Synonyms: methyl 2-amino-5-phenoxybenzoate

Database IDs

• MDL Number: MFCD13196134
• PubChem SID: 164319510
• PubChem CID: 45792384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2978976
• LogD (pH = 7.4): 3.2980816
• Log P: 3.298084
• Molar Refractivity: 69.0245 cm^3
• Polarizability: 26.213583 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 4.222

Product Information

• Purity: 95%