1,3,5-tris(4-methoxyphenyl)benzene

• ChemBase ID: 138784
• Molecular Formular: C27H24O3
• Molecular Mass: 396.47766
• Monoisotopic Mass: 396.17254463
• SMILES: COc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C27H24O3/c1-28-25-10-4-19(5-11-25)22-16-23(20-6-12-26(29-2)13-7-20)18-24(17-22)21-8-14-27(30-3)15-9-21/h4-18H,1-3H3
• InChIKey: QLHSLHOMBWKQMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-tris(4-methoxyphenyl)benzene
• IUPAC Traditional name: 1,3,5-tris(4-methoxyphenyl)benzene
• Synonyms: 1,3,5-Tris(4-methoxyphenyl)benzene

Database IDs

• CAS Number: 7509-20-8
• MDL Number: MFCD00096314
• PubChem SID: 24871129; 162233035
• PubChem CID: 348147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.441908
• LogD (pH = 7.4): 6.441908
• Log P: 6.441908
• Molar Refractivity: 120.8562 cm^3
• Polarizability: 51.00355 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 143-146 °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: 99%
• Linear Formula: C6H3(C6H4OCH3)3