1-(2-chlorophenyl)-3-(naphthalen-1-yl)prop-2-en-1-one

• ChemBase ID: 84066
• Molecular Formular: C19H13ClO
• Molecular Mass: 292.75892
• Monoisotopic Mass: 292.06549272
• SMILES: O=C(c1ccccc1Cl)/C=C/c1cccc2ccccc12
• Canonical SMILES: O=C(c1ccccc1Cl)/C=C/c1cccc2c1cccc2
• InChI: InChI=1S/C19H13ClO/c20-18-11-4-3-10-17(18)19(21)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H
• InChIKey: WXNBNBAXTJIKSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)-3-(naphthalen-1-yl)prop-2-en-1-one
• IUPAC Traditional name: 1-(2-chlorophenyl)-3-(naphthalen-1-yl)prop-2-en-1-one
• Synonyms: 1-(2-chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one

Database IDs

• MDL Number: MFCD01764280
• PubChem SID: 162071182
• PubChem CID: 5921231

CALCULATED PROPERTIES

• Acid pKa: 16.17167
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4838467
• LogD (pH = 7.4): 5.4838467
• Log P: 5.4838467
• Molar Refractivity: 88.132 cm^3
• Polarizability: 34.792397 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false