(5-amino-2-ethoxyphenyl)methanol

• ChemBase ID: 261442
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(c(ccc(c1)N)OCC)CO
• Canonical SMILES: CCOc1ccc(cc1CO)N
• InChI: InChI=1S/C9H13NO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-5,11H,2,6,10H2,1H3
• InChIKey: JYBSLRLOQYHBON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-amino-2-ethoxyphenyl)methanol
• IUPAC Traditional name: (5-amino-2-ethoxyphenyl)methanol
• Synonyms: (5-amino-2-ethoxyphenyl)methanol

Database IDs

• MDL Number: MFCD08460627
• PubChem SID: 164317352
• PubChem CID: 43260219

CALCULATED PROPERTIES

• Acid pKa: 14.802825
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4899704
• LogD (pH = 7.4): 0.57490754
• Log P: 0.5761068
• Molar Refractivity: 48.7861 cm^3
• Polarizability: 18.280855 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 0.495

Product Information

• Purity: 95%