Phenol, 3-(1-methylethyl)-, acetate
TL;DR: Phenol, 3-(1-methylethyl)-, acetate (CAS 36438-57-0) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) acetate
Also Known As: m-isopropylphenyl acetate, 3-Isopropylphenyl acetate, 3-Isopropylphenyl acetate #, (3-propan-2-ylphenyl) acetate, 3-(propan-2-yl)phenyl acetate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 36438-57-0 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)C |
| InChIKey | FZYWCPJQIBXOOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-(1-methylethyl)-, acetate (CAS 36438-57-0), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (3-propan-2-ylphenyl) acetate.
Chemical Property Profile of Phenol, 3-(1-methylethyl)-, acetate
Property Insights of Phenol, 3-(1-methylethyl)-, acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-(1-methylethyl)-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 3-(1-methylethyl)-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(1-methylethyl)-, acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 3-(1-methylethyl)-, acetate?
The CAS number of Phenol, 3-(1-methylethyl)-, acetate is 36438-57-0.
What is the molecular formula of Phenol, 3-(1-methylethyl)-, acetate?
The molecular formula of Phenol, 3-(1-methylethyl)-, acetate is C11H14O2.
What is the molecular weight of Phenol, 3-(1-methylethyl)-, acetate?
The molecular weight of Phenol, 3-(1-methylethyl)-, acetate is 178.10 g/mol.
Where can I buy Phenol, 3-(1-methylethyl)-, acetate?
You can request a quote for Phenol, 3-(1-methylethyl)-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1-methylethyl)-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1-methylethyl)-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.