3-amino-5-methoxyphenol

• ChemBase ID: 242299
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(cc(cc(c1)OC)O)N
• Canonical SMILES: COc1cc(N)cc(c1)O
• InChI: InChI=1S/C7H9NO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,8H2,1H3
• InChIKey: ILTCFIIXWWUIPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-methoxyphenol
• IUPAC Traditional name: 3-amino-5-methoxyphenol
• Synonyms: 3-amino-5-methoxyphenol

Database IDs

• MDL Number: MFCD16998718
• PubChem SID: 164298209
• PubChem CID: 11953516

CALCULATED PROPERTIES

• Acid pKa: 9.782135
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.67863214
• LogD (pH = 7.4): 0.68123883
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.596448 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.398

Product Information

• Purity: 95%