![2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol structure](/static/products/1588/158846-23-2.webp)
2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol
TL;DR: 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol (CAS 158846-23-2) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yliminomethyl)phenol
Also Known As: 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol, IPO 3009, 2-(1,3-benzodioxol-5-yliminomethyl)phenol, Phenol,2-[(1,3-benzodioxol-5-ylimino)methyl]-, 2-((Benzo[d][1,3]dioxol-5-ylimino)methyl)phenol
Technical Specifications
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.0739 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0739 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)N=CC3=CC=CC=C3O |
| InChIKey | ZRWLSUGRXCOFBJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol
Property Insights of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol. With a topological polar surface area (TPSA) of 51.1 Ų, 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol?
The CAS number of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol is 158846-23-2.
What is the molecular formula of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol?
The molecular formula of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol is C14H11NO3.
What is the molecular weight of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol?
The molecular weight of 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol is 241.0739 g/mol.
Where can I buy 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol?
You can request a quote for 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol?
Yes, CoreyChem provides custom synthesis services for 2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.