2-benzoyl-4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-5-methoxyphenol

• ChemBase ID: 149118
• Molecular Formular: C29H24O6
• Molecular Mass: 468.49726
• Monoisotopic Mass: 468.15728849
• SMILES: COc1cc(c(cc1Cc1cc(c(cc1OC)O)C(=O)c1ccccc1)C(=O)c1ccccc1)O
• Canonical SMILES: COc1cc(O)c(cc1Cc1cc(c(cc1OC)O)C(=O)c1ccccc1)C(=O)c1ccccc1
• InChI: InChI=1S/C29H24O6/c1-34-26-16-24(30)22(28(32)18-9-5-3-6-10-18)14-20(26)13-21-15-23(25(31)17-27(21)35-2)29(33)19-11-7-4-8-12-19/h3-12,14-17,30-31H,13H2,1-2H3
• InChIKey: DCBNMBIOGUANTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoyl-4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-5-methoxyphenol
• IUPAC Traditional name: 2-benzoyl-4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-5-methoxyphenol
• Synonyms: Bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methane; 5,5′-Methylenebis(2-hydroxy-4-methoxybenzophenone); 5,5′-亚甲基双(2-羟基-4-甲氧基二苯甲酮)

Database IDs

• CAS Number: 68716-15-4
• MDL Number: MFCD00674075
• PubChem SID: 24870051; 162243286
• PubChem CID: 111542

CALCULATED PROPERTIES

• Acid pKa: 7.5582576
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 7.3575115
• LogD (pH = 7.4): 7.104918
• Log P: 7.361273
• Molar Refractivity: 133.8344 cm^3
• Polarizability: 51.226357 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 223-230 °C(lit.)
• Density: 0.55 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 90%
• Linear Formula: CH2[C6H2(OH)(OCH3)COC6H5]2

DETAILS

Sigma Aldrich - 463329

Application
UV stabilizer
Packaging
10, 50 g in glass bottle