| CAS Number | 331275-28-6 |
| Catalog Number | AG01C4NJ |
| Chemical Name | (2Z)-3-Hydroxy-1-phenyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one |
| IUPAC Name | 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-13,19H,1-2H3 |
| InChI Key | XXXPDVBEABWMIF-UHFFFAOYSA-N |
| MDL Number | MFCD04034707 |
| Molecular Formula | C18H18O2 |
| Molecular Weight | 266.3343 |
| SMILES | CC(C)C1=CC=C(C=C1)C(O)=CC(=O)C1=CC=CC=C1 |
| Synonyms | 3-hydroxy-1-phenyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one,
331275-28-6,
AC1MIWT4,
ZINC100514765,
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one,
ZINC04597048,
CID3102941,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.34g/mol |
| Monoisotopic Mass | 266.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number