Methyl 3-hydroxy-4-methoxybenzoate
TL;DR: Methyl 3-hydroxy-4-methoxybenzoate (CAS 1004294-83-0) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-hydroxy-4-methoxybenzoate
Also Known As: Methyl 3-hydroxy-4-methoxybenzoate, Methyl isovanillate, Isovanillic Acid Methyl Ester, Methyl 3-hydroxy-4-methoxybenzenecarboxylate, Methyl-3-hydroxy-4-methoxybenzoate
Technical Specifications
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.0579 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)OC)O |
| InChIKey | QXOXUEFXRSIYSW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-hydroxy-4-methoxybenzoate
Property Insights of Methyl 3-hydroxy-4-methoxybenzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-4-methoxybenzoate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 3-hydroxy-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-4-methoxybenzoate 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 Methyl 3-hydroxy-4-methoxybenzoate?
The CAS number of Methyl 3-hydroxy-4-methoxybenzoate is 1004294-83-0.
What is the molecular formula of Methyl 3-hydroxy-4-methoxybenzoate?
The molecular formula of Methyl 3-hydroxy-4-methoxybenzoate is C9H10O4.
What is the molecular weight of Methyl 3-hydroxy-4-methoxybenzoate?
The molecular weight of Methyl 3-hydroxy-4-methoxybenzoate is 182.0579 g/mol.
Where can I buy Methyl 3-hydroxy-4-methoxybenzoate?
You can request a quote for Methyl 3-hydroxy-4-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-hydroxy-4-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-hydroxy-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.