(5-bromo-2-methoxyphenyl)(2-methylphenyl)methanone

• ChemBase ID: 278480
• Molecular Formular: C15H13BrO2
• Molecular Mass: 305.16652
• Monoisotopic Mass: 304.00989166
• SMILES: C(=O)(c1c(ccc(c1)Br)OC)c1c(C)cccc1
• Canonical SMILES: COc1ccc(cc1C(=O)c1ccccc1C)Br
• InChI: InChI=1S/C15H13BrO2/c1-10-5-3-4-6-12(10)15(17)13-9-11(16)7-8-14(13)18-2/h3-9H,1-2H3
• InChIKey: KMOOJLPJNPQZMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-methoxyphenyl)(2-methylphenyl)methanone
• IUPAC Traditional name: (5-bromo-2-methoxyphenyl)(2-methylphenyl)methanone
• Synonyms: (5-bromo-2-methoxyphenyl)(2-methylphenyl)methanone

Database IDs

• MDL Number: MFCD11545564
• PubChem SID: 164334390
• PubChem CID: 43339952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5571017
• LogD (pH = 7.4): 4.5571017
• Log P: 4.5571017
• Molar Refractivity: 75.7607 cm^3
• Polarizability: 28.970346 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.804

Product Information

• Purity: 95%