| CAS Number | 117321-40-1 |
| Catalog Number | AG01B3X4(AGN-PC-002CDW) |
| Chemical Name | 1-[4-(1-phenylethoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[4-(1-phenylethoxy)phenyl]ethanone |
| InChI | InChI=1S/C16H16O2/c1-12(17)14-8-10-16(11-9-14)18-13(2)15-6-4-3-5-7-15/h3-11,13H,1-2H3 |
| InChI Key | OYPWLCWDEWZANV-UHFFFAOYSA-N |
| MDL Number | MFCD11524181 |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.2970 |
| SMILES | CC(C1=CC=CC=C1)OC1=CC=C(C(C)=O)C=C1 |
| Synonyms | 1-[4-(1-phenylethoxy)phenyl]ethan-1-one,
117321-40-1,
SCHEMBL9641672,
AKOS000220974,
AKOS017270977,
Z73651063,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.302g/mol |
| Monoisotopic Mass | 240.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number