3-(3-aminophenyl)-2H-chromen-2-one

• ChemBase ID: 119402
• Molecular Formular: C15H11NO2
• Molecular Mass: 237.25334
• Monoisotopic Mass: 237.0789786
• SMILES: c1(c(=O)oc2c(c1)cccc2)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)c1cc2ccccc2oc1=O
• InChI: InChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2
• InChIKey: RHAQPESVLRVQJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminophenyl)-2H-chromen-2-one
• IUPAC Traditional name: 3-(3-aminophenyl)chromen-2-one
• Synonyms: 3-(3-aminophenyl)-2H-chromen-2-one

Database IDs

• PubChem SID: 162107571
• PubChem CID: 720985

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6164875
• LogD (pH = 7.4): 2.6224449
• Log P: 2.6225214
• Molar Refractivity: 70.7011 cm^3
• Polarizability: 26.501663 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true