(4-amino-3-methoxyphenyl)methanol

• ChemBase ID: 806478
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: C(O)c1cc(c(cc1)N)OC
• Canonical SMILES: COc1cc(CO)ccc1N
• InChI: InChI=1S/C8H11NO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5,9H2,1H3
• InChIKey: RVYSKGNWKIIUIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-amino-3-methoxyphenyl)methanol
• IUPAC Traditional name: (4-amino-3-methoxyphenyl)methanol
• Synonyms: (4-AMINO-3-METHOXYPHENYL)METHANOL

Database IDs

• CAS Number: 148459-54-5

CALCULATED PROPERTIES

• Acid pKa: 15.080921
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.19657835
• LogD (pH = 7.4): 0.21900518
• Log P: 0.21929882
• Molar Refractivity: 44.0375 cm^3
• Polarizability: 16.443577 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%