bis(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanol

• ChemBase ID: 136957
• Molecular Formular: C24H26O6
• Molecular Mass: 410.45964
• Monoisotopic Mass: 410.17293855
• SMILES: COc1ccc(cc1)C(c1ccc(cc1OC)OC)(c1ccc(cc1OC)OC)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1OC)OC)(c1ccc(cc1OC)OC)O
• InChI: InChI=1S/C24H26O6/c1-26-17-8-6-16(7-9-17)24(25,20-12-10-18(27-2)14-22(20)29-4)21-13-11-19(28-3)15-23(21)30-5/h6-15,25H,1-5H3
• InChIKey: NZYWDOPPZHAVTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanol
• IUPAC Traditional name: bis(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanol
• Synonyms: 2,2′,4,4′,4′′-Pentamethoxytrityl alcohol; 2,2′,4,4′,4′′-Pentamethoxytriphenylmethanol; 2,2′,4,4′,4′′-五甲氧基三苯甲醇

Database IDs

• CAS Number: 80202-77-3
• MDL Number: MFCD00009845
• PubChem SID: 162231224
• PubChem CID: 597005

CALCULATED PROPERTIES

• Acid pKa: 12.368897
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.8500216
• LogD (pH = 7.4): 3.850017
• Log P: 3.8500218
• Molar Refractivity: 115.6275 cm^3
• Polarizability: 44.544136 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C24H26O6