(2-amino-5-methoxyphenyl)methanol

• ChemBase ID: 290377
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: OCc1cc(OC)ccc1N
• Canonical SMILES: COc1ccc(c(c1)CO)N
• InChI: InChI=1S/C8H11NO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5,9H2,1H3
• InChIKey: HWUGOLZPDIJNFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 55414-72-7
• PubChem SID: 180675908
• PubChem CID: 13756678

CALCULATED PROPERTIES

• Acid pKa: 14.896249
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.20171918
• LogD (pH = 7.4): 0.21907297
• Log P: 0.21929882
• Molar Refractivity: 44.0375 cm^3
• Polarizability: 16.441824 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%