(3Z)-3-[(3-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 223433
• Molecular Formular: C15H11NO2
• Molecular Mass: 237.25334
• Monoisotopic Mass: 237.0789786
• SMILES: C\1(=C/c2cc(O)ccc2)/C(=O)Nc2c1cccc2
• Canonical SMILES: Oc1cccc(c1)/C=C/1\C(=O)Nc2c1cccc2
• InChI: InChI=1S/C15H11NO2/c17-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9-
• InChIKey: VHVCSZNJCUZDOG-LCYFTJDESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-3-[(3-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one

Database IDs

• PubChem SID: 164279343
• PubChem CID: 2077962

CALCULATED PROPERTIES

• Acid pKa: 9.374978
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9616072
• LogD (pH = 7.4): 2.9571176
• Log P: 2.961665
• Molar Refractivity: 71.7122 cm^3
• Polarizability: 26.417599 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds