benzyl 3,4,5-tris(benzyloxy)benzoate

• ChemBase ID: 161908
• Molecular Formular: C35H30O5
• Molecular Mass: 530.6097
• Monoisotopic Mass: 530.20932406
• SMILES: c1c(c(c(cc1C(=O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: O=C(c1cc(OCc2ccccc2)c(c(c1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C35H30O5/c36-35(40-26-30-19-11-4-12-20-30)31-21-32(37-23-27-13-5-1-6-14-27)34(39-25-29-17-9-3-10-18-29)33(22-31)38-24-28-15-7-2-8-16-28/h1-22H,23-26H2
• InChIKey: UMJKIUOJIWLKDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 3,4,5-tris(benzyloxy)benzoate
• IUPAC Traditional name: benzyl 3,4,5-tris(benzyloxy)benzoate
• Synonyms: 3,4,5-Tris(phenylmethoxy)benzoic Acid Phenylmethyl Ester; Benzyl Tri-benzylgalloate

Database IDs

• CAS Number: 475161-97-8
• PubChem SID: 162256043
• PubChem CID: 45038322

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 8.401602
• LogD (pH = 7.4): 8.401602
• Log P: 8.401602
• Molar Refractivity: 155.9233 cm^3
• Polarizability: 60.69625 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Brown Solid
• Melting Point: 88-90°C