(E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One
TL;DR: (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One (CAS 103659-69-4) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-butylidene-7-hydroxy-2-benzofuran-1-one
Also Known As: 3-Butylidene-7-hydroxyphthalide, 7-hydroxy-3-butylidenephthalide, 3-butylidene-7-hydroxy-2-benzofuran-1-one, (3E)-3-butylidene-7-hydroxy-2-benzofuran-1-one, (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | CCC/C=C/1\C2=C(C(=CC=C2)O)C(=O)O1 |
| InChIKey | XLFDJKJEYMKLJX-JXMROGBWSA-N |
Chemical Property Profile of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One
Property Insights of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One
The XLogP value of 3.4 indicates that (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One?
The CAS number of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One is 103659-69-4.
What is the molecular formula of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One?
The molecular formula of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One is C12H12O3.
What is the molecular weight of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One?
The molecular weight of (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One is 204.07864 g/mol.
Where can I buy (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One?
You can request a quote for (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One?
Yes, CoreyChem provides custom synthesis services for (E)-3-Butylidene-7-Hydroxyisobenzofuran-1(3H)-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.