5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 104340-39-8) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-4-methyl-5-phenylmethoxychromen-2-one
Also Known As: 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one, 2-(2-Phenylmethoxyphenyl)oxirane, 7-hydroxy-4-methyl-5-phenylmethoxychromen-2-one, 5-benzyloxy-7-hydroxy-4-methyl-chromen-2-one, COUMARIN, 5-(BENZYLOXY)-7-HYDROXY-4-METHYL-
Technical Specifications
| Molecular Formula | C17H14O4 |
| Molecular Weight | 282.0892 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0892 Da |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
| SMILES | CC1=CC(=O)OC2=C1C(=CC(=C2)O)OCC3=CC=CC=C3 |
| InChIKey | RFZORYYIOWTIPH-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 55.8 Ų, 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one 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 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one is 104340-39-8.
What is the molecular formula of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one is C17H14O4.
What is the molecular weight of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one is 282.0892 g/mol.
Where can I buy 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 5-(Benzyloxy)-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.