N-(3-hydroxyphenyl)-2-methylfuran-3-carboxamide

• ChemBase ID: 311297
• Molecular Formular: C12H11NO3
• Molecular Mass: 217.22064
• Monoisotopic Mass: 217.07389322
• SMILES: c1(C(=O)Nc2cc(O)ccc2)c(occ1)C
• Canonical SMILES: Oc1cccc(c1)NC(=O)c1ccoc1C
• InChI: InChI=1S/C12H11NO3/c1-8-11(5-6-16-8)12(15)13-9-3-2-4-10(14)7-9/h2-7,14H,1H3,(H,13,15)
• InChIKey: RYFXYSCKNZGIME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-2-methylfuran-3-carboxamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-2-methylfuran-3-carboxamide
• Synonyms: N-(3-hydroxyphenyl)-2-methyl-3-furamide

Database IDs

• CAS Number: 423729-51-5
• MDL Number: MFCD00448312

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1012917
• LogD (pH = 7.4): 2.095017
• Log P: 2.1013722
• Molar Refractivity: 61.2355 cm^3
• Polarizability: 22.193613 Å^3
• Polar Surface Area: 62.47 Å^2