N-(4-hydroxyphenyl)-5-methylfuran-2-carboxamide

• ChemBase ID: 312117
• Molecular Formular: C12H11NO3
• Molecular Mass: 217.22064
• Monoisotopic Mass: 217.07389322
• SMILES: c1(C(=O)Nc2ccc(cc2)O)oc(cc1)C
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccc(o1)C
• InChI: InChI=1S/C12H11NO3/c1-8-2-7-11(16-8)12(15)13-9-3-5-10(14)6-4-9/h2-7,14H,1H3,(H,13,15)
• InChIKey: UQMNRQHIORVLKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-5-methylfuran-2-carboxamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-5-methylfuran-2-carboxamide
• Synonyms: N-(4-hydroxyphenyl)-5-methyl-2-furamide

Database IDs

• CAS Number: 915922-65-5
• MDL Number: MFCD08691813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.02132
• LogD (pH = 7.4): 2.0171647
• Log P: 2.0213733
• Molar Refractivity: 61.113 cm^3
• Polarizability: 22.194641 Å^3
• Polar Surface Area: 62.47 Å^2