| CAS Number | 756484-20-5 |
| Catalog Number | AG00ICNE(AGN-PC-02MGBZ) |
| Chemical Name | 4-Acetyl-3'-(benzyloxy)biphenyl |
| IUPAC Name | 1-[4-(3-phenylmethoxyphenyl)phenyl]ethanone |
| InChI | InChI=1S/C21H18O2/c1-16(22)18-10-12-19(13-11-18)20-8-5-9-21(14-20)23-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3 |
| InChI Key | BYFBNVVTFNNRAL-UHFFFAOYSA-N |
| MDL Number | MFCD06802279 |
| Molecular Formula | C21H18O2 |
| Molecular Weight | 302.3664 |
| SMILES | C1(=CC=CC(=C1)OCC1C=CC=CC=1)C1C=CC(=CC=1)C(C)=O |
| Synonyms | 756484-20-5,
4-Acetyl-3'-(benzyloxy)biphenyl,
1-[3'-(Benzyloxy)[1,1'-biphenyl]-4-yl]ethanone,
1-(3'-(Benzyloxy)-[1,1'-biphenyl]-4-yl)ethanone,
KM3930,
MFCD06802279,
ZINC16946919,
AKOS004116092,
BB 0223330,
Ethanone, 1-[3'-(phenylmethoxy)[1,1'-biphenyl]-4-yl]-,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.373g/mol |
| Monoisotopic Mass | 302.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number