(5-amino-2-methoxyphenyl)methanol

• ChemBase ID: 262044
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1(c(ccc(c1)N)OC)CO
• Canonical SMILES: OCc1cc(N)ccc1OC
• InChI: InChI=1S/C8H11NO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5,9H2,1H3
• InChIKey: GGIYQZBTVHNMLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11106271
• PubChem SID: 164317954
• PubChem CID: 237567

CALCULATED PROPERTIES

• Acid pKa: 14.804617
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.13638501
• LogD (pH = 7.4): 0.21814884
• Log P: 0.21929882
• Molar Refractivity: 44.0375 cm^3
• Polarizability: 16.44177 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): -0.034

Product Information

• Purity: 95%