(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 272631
• Molecular Formular: C16H16O4
• Molecular Mass: 272.29584
• Monoisotopic Mass: 272.10485899
• SMILES: c1(C(=O)c2ccc(cc2)OC)c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccc(cc1OC)OC
• InChI: InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3
• InChIKey: VFTDVICZBGDMMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone
• Synonyms: 2,4,4'-Trimethoxybenzophenone; (2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone; 2,4,4'-三甲氧基二苯甲酮

Database IDs

• CAS Number: 4038-15-7
• MDL Number: MFCD00100089
• Beilstein Number: 1991889
• PubChem SID: 164328541
• PubChem CID: 254174

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.959585
• LogD (pH = 7.4): 2.959585
• Log P: 2.959585
• Molar Refractivity: 76.0231 cm^3
• Polarizability: 29.527527 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C; 71-73°C
• Hydrophobicity(logP): 3.375

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 99%