3-Phenoxybenzaldehyde
TL;DR: 3-Phenoxybenzaldehyde (CAS 39515-51-0) is a chemical compound with molecular formula C13H10O2 and molecular weight 198.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenoxybenzaldehyde
Also Known As: 3-PHENOXYBENZALDEHYDE, m-Phenoxybenzaldehyde, 3-Phenoxy-benzaldehyde, Benzaldehyde, 3-phenoxy-, 3-Formyldiphenyl Ether
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10O2 |
| Molecular Weight | 198.06808 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.06808 Da |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
| Vapor Pressure | 0.000164 [mmHg] |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O |
| InChIKey | MRLGCTNJRREZHZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenoxybenzaldehyde
Property Insights of 3-Phenoxybenzaldehyde
The XLogP value of 3.4 indicates that 3-Phenoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenoxybenzaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Phenoxybenzaldehyde?
The CAS number of 3-Phenoxybenzaldehyde is 39515-51-0.
What is the molecular formula of 3-Phenoxybenzaldehyde?
The molecular formula of 3-Phenoxybenzaldehyde is C13H10O2.
What is the molecular weight of 3-Phenoxybenzaldehyde?
The molecular weight of 3-Phenoxybenzaldehyde is 198.06808 g/mol.
Where can I buy 3-Phenoxybenzaldehyde?
You can request a quote for 3-Phenoxybenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenoxybenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Phenoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.