(7-methyl-2,3-dihydro-1H-inden-4-yl)(naphthalen-1-yl)methanone

• ChemBase ID: 173647
• Molecular Formular: C21H18O
• Molecular Mass: 286.36702
• Monoisotopic Mass: 286.1357652
• SMILES: c12c(cccc1cccc2)C(=O)c1ccc(c2c1CCC2)C
• Canonical SMILES: Cc1ccc(c2c1CCC2)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C21H18O/c1-14-12-13-20(18-10-5-9-16(14)18)21(22)19-11-4-7-15-6-2-3-8-17(15)19/h2-4,6-8,11-13H,5,9-10H2,1H3
• InChIKey: GZCQYBBVUZYWNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methyl-2,3-dihydro-1H-inden-4-yl)(naphthalen-1-yl)methanone
• IUPAC Traditional name: (7-methyl-2,3-dihydro-1H-inden-4-yl)(naphthalen-1-yl)methanone
• Synonyms: (2,3-Dihydro-7-methyl-1H-inden-4-yl)-1-naphthalenylmethanone; 7-Methylindan-4-yl 1-Naphthyl Ketone

Database IDs

• CAS Number: 63665-87-2
• PubChem SID: 164229557
• PubChem CID: 113404

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9431825
• LogD (pH = 7.4): 5.9431825
• Log P: 5.9431825
• Molar Refractivity: 91.0061 cm^3
• Polarizability: 36.041702 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Amber Solid
• Melting Point: 179-181°C