(2-methylnaphthalen-1-yl)(phenyl)methanone

• ChemBase ID: 107342
• Molecular Formular: C18H14O
• Molecular Mass: 246.30316
• Monoisotopic Mass: 246.10446507
• SMILES: Cc1ccc2ccccc2c1C(=O)c1ccccc1
• Canonical SMILES: Cc1ccc2c(c1C(=O)c1ccccc1)cccc2
• InChI: InChI=1S/C18H14O/c1-13-11-12-14-7-5-6-10-16(14)17(13)18(19)15-8-3-2-4-9-15/h2-12H,1H3
• InChIKey: FZDRTKCXVAUHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylnaphthalen-1-yl)(phenyl)methanone
• IUPAC Traditional name: (2-methylnaphthalen-1-yl)(phenyl)methanone
• Synonyms: 1-BENZOYL-2-METHYLNAPHTHALENE

Database IDs

• PubChem SID: 162105736
• PubChem CID: 11160940

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.935497
• LogD (pH = 7.4): 4.935497
• Log P: 4.935497
• Molar Refractivity: 78.1249 cm^3
• Polarizability: 31.419722 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203381

MP Biomedicals Rare Chemical collection