4'-Benzyloxyacetophenone - CAS 54696-05-8
Catalog: |
BB028779 |
Product Name: |
4'-Benzyloxyacetophenone |
CAS: |
54696-05-8 |
Synonyms: |
1-(4-phenylmethoxyphenyl)ethanone; 1-(4-phenylmethoxyphenyl)ethanone |
IUPAC Name: | 1-(4-phenylmethoxyphenyl)ethanone |
Description: | 4'-Benzyloxyacetophenone (CAS# 54696-05-8) is used in preparation of inhibitors of various proteins such as hepatitis C virus polymerase, glucosylceramide synthase and protein tyrosine phosphatase 1B. |
Molecular Weight: | 226.27 |
Molecular Formula: | C15H14O2 |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
InChI Key: | MKYMYZJJFMPDOA-UHFFFAOYSA-N |
Boiling Point: | 378.6 ℃ at 760 mmHg |
Purity: | 98.0% |
Density: | 1.1 g/cm3 |
MDL: | MFCD00017247 |
LogP: | 3.46820 |
GHS Hazard Statement: | H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020152793-A | Compositions, inks, artificial nail compositions, nail decoration materials, artificial nails, storage containers, image forming devices, and image forming methods | 20190319 |
US-2020299425-A1 | Active energy ray curable composition, active energy ray curable ink, composition accommodating container, two or three dimensional image forming apparatus, two or three dimensional image forming method, cured matter, decorative matter, artificial nail composition, nail decorative material, and artificial nail | 20190319 |
WO-2020152361-A1 | Carbamate derivatives and uses thereof | 20190125 |
US-2020206233-A1 | Heterocyclic compounds as mutant idh inhibitors | 20181231 |
WO-2020141439-A1 | Heterocyclic compounds as mutant idh inhibitors | 20181231 |
PMID | Publication Date | Title | Journal |
18439648 | 20080801 | Syntheses and estrogenic activity of 4-nonylphenol isomers | Chemosphere |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS