p-(tert-Butyl)phenoxymethanol, acetate
TL;DR: p-(tert-Butyl)phenoxymethanol, acetate (CAS 54889-98-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenoxy)methyl acetate
Also Known As: (4-tert-Butylphenoxy)methyl acetate, P-(TERT-BUTYL)PHENOXYMETHANOL, ACETATE, (4-tert-Butylphenoxy)methanol acetate, (4-tert-Butylphenoxy)methyl acetate #, Methanol, [4-(1,1-dimethylethyl)phenoxy]-, acetate
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 54889-98-4 |
|---|---|
| SMILES | CC(=O)OCOC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | SAUOVKUFPXZKPY-UHFFFAOYSA-N |
Product Overview
p-(tert-Butyl)phenoxymethanol, acetate (CAS 54889-98-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: (4-tert-butylphenoxy)methyl acetate.
Chemical Property Profile of p-(tert-Butyl)phenoxymethanol, acetate
Property Insights of p-(tert-Butyl)phenoxymethanol, acetate
The XLogP value of 3.6 indicates that p-(tert-Butyl)phenoxymethanol, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, p-(tert-Butyl)phenoxymethanol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(tert-Butyl)phenoxymethanol, acetate 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
Frequently Asked Questions
What is the CAS number of p-(tert-Butyl)phenoxymethanol, acetate?
The CAS number of p-(tert-Butyl)phenoxymethanol, acetate is 54889-98-4.
What is the molecular formula of p-(tert-Butyl)phenoxymethanol, acetate?
The molecular formula of p-(tert-Butyl)phenoxymethanol, acetate is C13H18O3.
What is the molecular weight of p-(tert-Butyl)phenoxymethanol, acetate?
The molecular weight of p-(tert-Butyl)phenoxymethanol, acetate is 222.13 g/mol.
Where can I buy p-(tert-Butyl)phenoxymethanol, acetate?
You can request a quote for p-(tert-Butyl)phenoxymethanol, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(tert-Butyl)phenoxymethanol, acetate?
Yes, KEHONG BIO provides custom synthesis services for p-(tert-Butyl)phenoxymethanol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.