2-amino-6-methoxyphenol

• ChemBase ID: 289670
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: COc1cccc(N)c1O
• Canonical SMILES: COc1cccc(c1O)N
• InChI: InChI=1S/C7H9NO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,8H2,1H3
• InChIKey: QDXORTKZTNOXOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methoxyphenol
• IUPAC Traditional name: 2-amino-6-methoxyphenol
• Synonyms: 2-Amino-6-methoxyphenol

Database IDs

• CAS Number: 40925-71-1
• MDL Number: MFCD16998784
• PubChem SID: 180675201
• PubChem CID: 12909234

CALCULATED PROPERTIES

• Acid pKa: 10.884943
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6651342
• LogD (pH = 7.4): 0.68270516
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.598736 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%