| CAS Number | 385810-21-9 |
| Catalog Number | AG003L1E(AGN-PC-07824M) |
| Chemical Name | 3-(4-Butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| IUPAC Name | (E)-3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C19H20O2/c1-2-3-4-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(20)13-11-17/h5-14,20H,2-4H2,1H3/b14-9+ |
| InChI Key | LFLVYHVGNKJGBV-NTEUORMPSA-N |
| MDL Number | MFCD08276309 |
| Molecular Formula | C19H20O2 |
| Molecular Weight | 280.3609 |
| SMILES | CCCCc1ccc(C=CC(=O)c2ccc(O)cc2)cc1 |
| Synonyms | 4-Butyl-4'-hydroxychalcone,
385810-21-9,
3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one,
CHEMBL342230,
SCHEMBL13199563,
(E)-3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one,
MFCD08276309,
ZINC27518165,
AKOS015839754,
ACM385810219,
CC-18543,
TR-015563,
CID11108740,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 280.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.367g/mol |
| Monoisotopic Mass | 280.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number