1,3-Diphenyl-2-propanone
TL;DR: 1,3-Diphenyl-2-propanone (CAS 102-04-5) is a chemical compound with molecular formula C15H14O and molecular weight 210.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diphenylpropan-2-one
Also Known As: 1,3-Diphenylacetone, 1,3-diphenylpropan-2-one, DIBENZYL KETONE, 1,3-Diphenyl-2-propanone, Benzyl ketone
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H14O |
| Molecular Weight | 210.10446 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.10446 Da |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
| Melting Point | 35 - 36 °C |
| Boiling Point | 330.00 to 331.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| SMILES | C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2 |
| InChIKey | YFKBXYGUSOXJGS-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Diphenyl-2-propanone
Property Insights of 1,3-Diphenyl-2-propanone
The XLogP value of 3.1 indicates that 1,3-Diphenyl-2-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Diphenyl-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diphenyl-2-propanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Diphenyl-2-propanone?
The CAS number of 1,3-Diphenyl-2-propanone is 102-04-5.
What is the molecular formula of 1,3-Diphenyl-2-propanone?
The molecular formula of 1,3-Diphenyl-2-propanone is C15H14O.
What is the molecular weight of 1,3-Diphenyl-2-propanone?
The molecular weight of 1,3-Diphenyl-2-propanone is 210.10446 g/mol.
Where can I buy 1,3-Diphenyl-2-propanone?
You can request a quote for 1,3-Diphenyl-2-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Diphenyl-2-propanone?
Yes, CoreyChem provides custom synthesis services for 1,3-Diphenyl-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.