1,2,3-Tris(benzyloxy)benzene - CAS 55020-64-9

Catalog:	BB057336
Product Name:	1,2,3-Tris(benzyloxy)benzene
CAS:	55020-64-9
Synonyms:	1,2,3-Tris(phenylmethoxy)benzene; 1,2,3-Tribenzyloxybenzene; 1,2,3-Tris(benzyloxy)benzene

Technical Data

IUPAC Name:	1,2,3-tris(phenylmethoxy)benzene
Description:	1,2,3-Tris(benzyloxy)benzene acts as a reagent in the synthesis of tumor inhibitory flavanoids, synthesis, antitumor activities and quantitative structural activity relationship of wogonin derivatives.
Molecular Weight:	396.48
Molecular Formula:	C27H24O3
Canonical SMILES:	C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI:	InChI=1S/C27H24O3/c1-4-11-22(12-5-1)19-28-25-17-10-18-26(29-20-23-13-6-2-7-14-23)27(25)30-21-24-15-8-3-9-16-24/h1-18H,19-21H2
InChI Key:	IUCNNRFELLGMOO-UHFFFAOYSA-N
References:	Ueng, T., et al. Proc. Natl. Sci. Counc., 9, 335 (1976); Bian, J., et al. Bioorg. Med. Chem. Lett., 27, 1012 (2017).

Complexity:	419
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	396.17254462
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	396.17254462
Rotatable Bond Count:	9
Topological Polar Surface Area:	27.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.3