N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide

• ChemBase ID: 311295
• Molecular Formular: C12H11NO3
• Molecular Mass: 217.22064
• Monoisotopic Mass: 217.07389322
• SMILES: c1(C(=O)Nc2cc(O)ccc2)cc(oc1)C
• Canonical SMILES: Cc1occ(c1)C(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C12H11NO3/c1-8-5-9(7-16-8)12(15)13-10-3-2-4-11(14)6-10/h2-7,14H,1H3,(H,13,15)
• InChIKey: KOHYRMHFQJXHDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
• Synonyms: N-(3-hydroxyphenyl)-5-methyl-3-furamide

Database IDs

• CAS Number: 423735-72-2
• MDL Number: MFCD00514444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1012914
• LogD (pH = 7.4): 2.0950162
• Log P: 2.1013722
• Molar Refractivity: 61.2355 cm^3
• Polarizability: 22.192871 Å^3
• Polar Surface Area: 62.47 Å^2