3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone
TL;DR: 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone (CAS 52196-46-0) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-2-hydroxy-5-methylphenyl)-phenylmethanone
Also Known As: (3-tert-butyl-2-hydroxy-5-methylphenyl)-phenylmethanone, [3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]phenylmethanone, 3-(tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone, (3-tert-Butyl-2-hydroxy-5-methylphenyl)(phenyl)methanone
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 52196-46-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)C2=CC=CC=C2 |
| InChIKey | XMURVNZIZKRYKI-UHFFFAOYSA-N |
Product Overview
3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone (CAS 52196-46-0), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: (3-tert-butyl-2-hydroxy-5-methylphenyl)-phenylmethanone.
Chemical Property Profile of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone
Property Insights of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone
The XLogP value of 5.5 indicates that 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone?
The CAS number of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone is 52196-46-0.
What is the molecular formula of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone?
The molecular formula of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone is C18H20O2.
What is the molecular weight of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone?
The molecular weight of 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone is 268.15 g/mol.
Where can I buy 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone?
You can request a quote for 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butyl)-2-hydroxy-5-methylphenyl phenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.