1-Iodo-3-phenoxybenzene
TL;DR: 1-Iodo-3-phenoxybenzene (CAS 2974-95-0) is a chemical compound with molecular formula C12H9IO and molecular weight 295.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-3-phenoxybenzene
Also Known As: 1-iodo-3-phenoxybenzene, 1-Iodo-3-phenoxy-benzene, Benzene, 1-iodo-3-phenoxy-, O(c1ccccc1)c2cccc(I)c2, A1-00549
| Molecular Formula | C12H9IO |
|---|---|
| Molecular Weight | 295.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.96982 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 2974-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=CC=C2)I |
| InChIKey | MFDXSPPOJCTXLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Iodo-3-phenoxybenzene (CAS 2974-95-0), with molecular formula C12H9IO and molecular weight 295.97 g/mol. IUPAC: 1-iodo-3-phenoxybenzene.
Chemical Property Profile of 1-Iodo-3-phenoxybenzene
Property Insights of 1-Iodo-3-phenoxybenzene
The XLogP value of 4.0 indicates that 1-Iodo-3-phenoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Iodo-3-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-3-phenoxybenzene 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
Frequently Asked Questions
What is the CAS number of 1-Iodo-3-phenoxybenzene?
The CAS number of 1-Iodo-3-phenoxybenzene is 2974-95-0.
What is the molecular formula of 1-Iodo-3-phenoxybenzene?
The molecular formula of 1-Iodo-3-phenoxybenzene is C12H9IO.
What is the molecular weight of 1-Iodo-3-phenoxybenzene?
The molecular weight of 1-Iodo-3-phenoxybenzene is 295.97 g/mol.
Where can I buy 1-Iodo-3-phenoxybenzene?
You can request a quote for 1-Iodo-3-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-3-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-3-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.