2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol

• ChemBase ID: 75417
• Molecular Formular: C15H14O5
• Molecular Mass: 274.26866
• Monoisotopic Mass: 274.08412355
• SMILES: O=C(c1c(cc(cc1)OC)O)c1ccc(cc1O)OC
• Canonical SMILES: COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC
• InChI: InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3
• InChIKey: SODJJEXAWOSSON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol
• IUPAC Traditional name: 2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol
• Synonyms: bis(2-hydroxy-4-methoxyphenyl)methanone; 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone; 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone; 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone; UVINUL-D-49; 2,2'-二羟基-4,4'-二甲氧基二苯甲酮; 2,2'-二羟基-4,4'-二甲氧基苯并苯酮

Database IDs

• CAS Number: 131-54-4
• EC Number: 205-027-3
• MDL Number: MFCD00009606
• Beilstein Number: 1887087
• Merck Index: 141099
• PubChem SID: 24893355; 162040335
• PubChem CID: 8570

CALCULATED PROPERTIES

• Acid pKa: 6.73985
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.7857049
• LogD (pH = 7.4): 2.8129392
• Log P: 3.8101256
• Molar Refractivity: 73.5217 cm^3
• Polarizability: 28.239426 Å^3
• Polar Surface Area: 75.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-136 °C(lit.); 133-136°C

Safety Information

• RTECS: DJ0900000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Mechanism of Action: Antioxydant

Product Information

• Purity: 98%
• Application(s): Radioprotective
• Linear Formula: [CH3OC6H3(OH)]2CO

DETAILS

MP Biomedicals - 05205694

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D111007

Packaging
100 g in poly bottle