| CAS Number | 42781-88-4 |
| Catalog Number | AG00C99Z(AGN-PC-0WAITI) |
| Chemical Name | Bisphenol A Monobenzyl Ether |
| IUPAC Name | 4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenol |
| InChI | InChI=1S/C22H22O2/c1-22(2,18-8-12-20(23)13-9-18)19-10-14-21(15-11-19)24-16-17-6-4-3-5-7-17/h3-15,23H,16H2,1-2H3 |
| InChI Key | XQJGIQBNDJMGCI-UHFFFAOYSA-N |
| MDL Number | MFCD18379218 |
| Molecular Formula | C22H22O2 |
| Molecular Weight | 318.4089 |
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC3=CC=CC=C3 |
| Synonyms | Bisphenol A Monobenzyl Ether,
42781-88-4,
AGN-PC-0NDOKN,
SCHEMBL6059951,
DTXSID10450234,
ZINC65734903,
FT-0663372,
4-{2-[4-(benzyloxy)phenyl]propan-2-yl}phenol,
2-(4-Hydroxyphenyl)-2-[4-(benzyloxy)phenyl]propane,
4-[1-Methyl-1-[4-(phenylmethoxy)phenyl]ethyl]phenol,
CID10969184,
4-(2-(4-(Benzyloxy)phenyl)propan-2-yl)phenol,
4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenol,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.416g/mol |
| Monoisotopic Mass | 318.162g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number