| CAS Number | 207737-64-2 |
| Catalog Number | AG019EYJ(AGN-PC-022O0N) |
| Chemical Name | 1-[4-(benzyloxy)phenyl]-4-methylpentan-3-one |
| IUPAC Name | 4-methyl-1-(4-phenylmethoxyphenyl)pentan-3-one |
| InChI | InChI=1S/C19H22O2/c1-15(2)19(20)13-10-16-8-11-18(12-9-16)21-14-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3 |
| InChI Key | HLJUQQMGAVBQNJ-UHFFFAOYSA-N |
| MDL Number | MFCD31555313 |
| Molecular Formula | C19H22O2 |
| Molecular Weight | 282.3768 |
| SMILES | CC(C)C(=O)CCc1ccc(OCc2ccccc2)cc1 |
| Synonyms | 1-(4-(BENZYLOXY)PHENYL)-4-METHYLPENTAN-3-ONE,
207737-64-2,
SCHEMBL8010842,
HLJUQQMGAVBQNJ-UHFFFAOYSA-N,
CS-0035646,
1-(4-Benzyloxy-phenyl)-4-methyl-pentan-3-one,
1-(4-(benzyloxy)phenyl)-4-methylpentan-3-one(WXC06872),
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.383g/mol |
| Monoisotopic Mass | 282.162g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number