1,2,4-tris(benzyloxy)benzene

• ChemBase ID: 111133
• Molecular Formular: C27H24O3
• Molecular Mass: 396.47766
• Monoisotopic Mass: 396.17254463
• SMILES: C(Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1cc(OCc2ccccc2)ccc1OCc1ccccc1
• InChI: InChI=1S/C27H24O3/c1-4-10-22(11-5-1)19-28-25-16-17-26(29-20-23-12-6-2-7-13-23)27(18-25)30-21-24-14-8-3-9-15-24/h1-18H,19-21H2
• InChIKey: URHCLZLFJKTWDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4-tris(benzyloxy)benzene
• IUPAC Traditional name: 1,2,4-tris(benzyloxy)benzene
• Synonyms: 1,2,4-TRIBENZYLOXYBENZENE

Database IDs

• PubChem SID: 162106457
• PubChem CID: 11200317

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.673651
• LogD (pH = 7.4): 6.673651
• Log P: 6.673651
• Molar Refractivity: 119.2854 cm^3
• Polarizability: 46.711163 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05217899

MP Biomedicals Rare Chemical collection