4-amino-2-methoxyphenol

• ChemBase ID: 31008
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(cc(N)ccc1O)OC
• Canonical SMILES: COc1cc(N)ccc1O
• InChI: InChI=1S/C7H9NO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,8H2,1H3
• InChIKey: MCNBYOWWTITHIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-methoxyphenol
• IUPAC Traditional name: 4-amino-2-methoxyphenol
• Synonyms: 4-amino-2-methoxyphenol; 4-Amino-2-methoxy-phenol

Database IDs

• CAS Number: 52200-90-5
• MDL Number: MFCD01707809
• PubChem SID: 160994315
• PubChem CID: 101296

CALCULATED PROPERTIES

• Acid pKa: 10.851663
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5712732
• LogD (pH = 7.4): 0.6813083
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.596716 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false