4-Methylphenyl 2-methylpropyl carbonate
TL;DR: 4-Methylphenyl 2-methylpropyl carbonate (CAS 100257-00-9) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl) 2-methylpropyl carbonate
Also Known As: p-Cresol, isoBOC, NCIOpen2_003276, isobutyl 4-methylphenyl carbonate, ISOBUTYL P-TOLYL CARBONATE, 4-methylphenyl 2-methylpropyl carbonate
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| SMILES | CC1=CC=C(C=C1)OC(=O)OCC(C)C |
| InChIKey | FSTJEGRHKRMKRW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylphenyl 2-methylpropyl carbonate
Property Insights of 4-Methylphenyl 2-methylpropyl carbonate
The XLogP value of 3.8 indicates that 4-Methylphenyl 2-methylpropyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methylphenyl 2-methylpropyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 2-methylpropyl carbonate has 0 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 4-Methylphenyl 2-methylpropyl carbonate?
The CAS number of 4-Methylphenyl 2-methylpropyl carbonate is 100257-00-9.
What is the molecular formula of 4-Methylphenyl 2-methylpropyl carbonate?
The molecular formula of 4-Methylphenyl 2-methylpropyl carbonate is C12H16O3.
What is the molecular weight of 4-Methylphenyl 2-methylpropyl carbonate?
The molecular weight of 4-Methylphenyl 2-methylpropyl carbonate is 208.10994 g/mol.
Where can I buy 4-Methylphenyl 2-methylpropyl carbonate?
You can request a quote for 4-Methylphenyl 2-methylpropyl carbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylphenyl 2-methylpropyl carbonate?
Yes, CoreyChem provides custom synthesis services for 4-Methylphenyl 2-methylpropyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.