o-Phenylbenzyl Acrylate - CAS 1373162-82-3

Catalog:	BB058270
Product Name:	o-Phenylbenzyl Acrylate
CAS:	1373162-82-3
Synonyms:	[1,1'-Biphenyl]-2-ylmethyl-2-propenoic Acid Ester

Technical Data

IUPAC Name:	(2-phenylphenyl)methyl prop-2-enoate
Description:	o-Phenylbenzyl Acrylate is derived from 2-Formyl-1,1'-biphenyl (F697755), which is a reactant used in the preparation of imidazoquinoline derivatives, a class of microsomal prostaglandin E2 synthase-1 inhibitors. 2-Formyl-1,1'-biphenyl is also used in the preparation of phenoxybenzylamino carboline derivatives as potential antitumor drugs targeting α-tubulin.
Molecular Weight:	238.28
Molecular Formula:	C16H14O2
Canonical SMILES:	C=CC(=O)OCC1=CC=CC=C1C2=CC=CC=C2
InChI:	InChI=1S/C16H14O2/c1-2-16(17)18-12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h2-11H,1,12H2
InChI Key:	PKMSXGVLJHFQHJ-UHFFFAOYSA-N
References:	Shiro, T. et al. Bioorg. Med. Chem. Lett., 22, 285 (2012); Ikeda, R. et al. Bioorg. Med. Chem. Lett., 21, 4784 (2011).

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.099379685
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.099379685
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8