bis(3-methylphenyl)methanone

• ChemBase ID: 236155
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: C(=O)(c1cc(ccc1)C)c1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(=O)c1cccc(c1)C
• InChI: InChI=1S/C15H14O/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10H,1-2H3
• InChIKey: CGXDIDXEMHMPIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-methylphenyl)methanone
• IUPAC Traditional name: bis(3-methylphenyl)methanone
• Synonyms: bis(3-methylphenyl)methanone

Database IDs

• MDL Number: MFCD04147203
• PubChem SID: 164292065
• PubChem CID: 17848

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4594417
• LogD (pH = 7.4): 4.4594417
• Log P: 4.4594417
• Molar Refractivity: 66.7159 cm^3
• Polarizability: 25.562271 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.178

Product Information

• Purity: 95%