1-(5-hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethan-1-one

• ChemBase ID: 310658
• Molecular Formular: C17H15NO2
• Molecular Mass: 265.3065
• Monoisotopic Mass: 265.11027873
• SMILES: n1(c(c(c2c1ccc(c2)O)C(=O)C)C)c1ccccc1
• Canonical SMILES: Oc1ccc2c(c1)c(C(=O)C)c(n2c1ccccc1)C
• InChI: InChI=1S/C17H15NO2/c1-11-17(12(2)19)15-10-14(20)8-9-16(15)18(11)13-6-4-3-5-7-13/h3-10,20H,1-2H3
• InChIKey: IXJWGFZUYLKRRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethan-1-one
• IUPAC Traditional name: 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone
• Synonyms: 1-(5-hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone

Database IDs

• CAS Number: 5102-18-1
• MDL Number: MFCD00561131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4071784
• LogD (pH = 7.4): 3.3988316
• Log P: 3.407286
• Molar Refractivity: 89.6715 cm^3
• Polarizability: 31.983349 Å^3
• Polar Surface Area: 42.23 Å^2