(4-methoxyphenyl)(naphthalen-1-yl)methanone

• ChemBase ID: 245921
• Molecular Formular: C18H14O2
• Molecular Mass: 262.30256
• Monoisotopic Mass: 262.09937969
• SMILES: c1(C(=O)c2ccc(cc2)OC)c2c(ccc1)cccc2
• Canonical SMILES: COc1ccc(cc1)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C18H14O2/c1-20-15-11-9-14(10-12-15)18(19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3
• InChIKey: DEGIYCMFDIWAKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(naphthalen-1-yl)methanone
• IUPAC Traditional name: (4-methoxyphenyl)(naphthalen-1-yl)methanone
• Synonyms: (4-methoxyphenyl)(naphthalen-1-yl)methanone

Database IDs

• MDL Number: MFCD13468559
• PubChem SID: 164301831
• PubChem CID: 349788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2644043
• LogD (pH = 7.4): 4.2644043
• Log P: 4.2644043
• Molar Refractivity: 79.5469 cm^3
• Polarizability: 32.100613 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 4.574

Product Information

• Purity: 95%