[5-(5-amino-2-methylphenyl)furan-2-yl]methanol

• ChemBase ID: 124475
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: c1(oc(cc1)CO)c1c(ccc(c1)N)C
• Canonical SMILES: OCc1ccc(o1)c1cc(N)ccc1C
• InChI: InChI=1S/C12H13NO2/c1-8-2-3-9(13)6-11(8)12-5-4-10(7-14)15-12/h2-6,14H,7,13H2,1H3
• InChIKey: CXKRLPWHLBGVCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(5-amino-2-methylphenyl)furan-2-yl]methanol
• IUPAC Traditional name: [5-(5-amino-2-methylphenyl)furan-2-yl]methanol
• Synonyms: (5-(5-amino-2-methylphenyl)furan-2-yl)methanol

Database IDs

• PubChem SID: 162218828
• PubChem CID: 7148499

CALCULATED PROPERTIES

• Acid pKa: 13.773344
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5026159
• LogD (pH = 7.4): 1.5176691
• Log P: 1.5178646
• Molar Refractivity: 60.0201 cm^3
• Polarizability: 23.515104 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true