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 |
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: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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