tris(4-methoxyphenyl)methanol

• ChemBase ID: 295938
• Molecular Formular: C22H22O4
• Molecular Mass: 350.40768
• Monoisotopic Mass: 350.15180918
• SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)O
• InChI: InChI=1S/C22H22O4/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15,23H,1-3H3
• InChIKey: JCLOLVVCZNYDIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methoxyphenyl)methanol
• IUPAC Traditional name: tris(4-methoxyphenyl)methanol
• Synonyms: Tris(4-methoxyphenyl) carbinol; Tris(4-methoxyphenyl)methanol; 4,4',4''-Trimethoxytrityl alcohol; 4,4',4''-三甲氧基苯基甲醇

Database IDs

• CAS Number: 3010-81-9
• EC Number: 221-139-5
• MDL Number: MFCD00014898
• Beilstein Number: 1890559
• PubChem SID: 180681469
• PubChem CID: 76380

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 4.1653643
• LogD (pH = 7.4): 4.1653624
• Log P: 4.1653643
• Molar Refractivity: 102.7011 cm^3
• Polarizability: 39.514317 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.7609
• H Acceptors: 4

PROPERTIES

Physical Property

• Melting Point: 76-82°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%