TL;DR: 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) (CAS 153976-41-1) is a chemical compound with molecular formula C16H14O2 and molecular weight 238.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-hydroxyphenyl)-1-(3-methylphenyl)prop-2-en-1-one
Also Known As: 3'-methyl-3-hydroxy-chalcone, 3'-Methyl-3-hydroxychalcone, 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)- (9CI), 3-(3-Hydroxyphenyl)-1-(3-methylphenyl)prop-2-en-1-one, (E)-3-(3-Hydroxyphenyl)-1-(3-methylphenyl)-2-propen-1-one
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14O2 |
| Molecular Weight | 238.09938 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09938 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)C=CC2=CC(=CC=C2)O |
| InChIKey | GPJXEEMHEDUKIP-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) is 153976-41-1.
The molecular formula of 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) is C16H14O2.
The molecular weight of 2-Propen-1-one,3-(3-hydroxyphenyl)-1-(3-methylphenyl)-, (E)-(9CI) is 238.09938 g/mol.
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