4-Sec-butyl-2-(1-phenylethyl)phenol
TL;DR: 4-Sec-butyl-2-(1-phenylethyl)phenol (CAS 2622-83-5) is a chemical compound with molecular formula C18H22O and molecular weight 254.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yl-2-(1-phenylethyl)phenol
Also Known As: 4-Sec-butyl-2-(1-phenylethyl)phenol, PROPYL4-NITROBENZOATE, 4-butan-2-yl-2-(1-phenylethyl)phenol, 4-(1-Methylpropyl)-2-(1-phenylethyl)phenol, 4-Sec-butyl-2-(a-methylbenzyl)phenol
| Molecular Formula | C18H22O |
|---|---|
| Molecular Weight | 254.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.16707 |
| Heavy Atoms | 19 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 2622-83-5 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2 |
| InChIKey | QJNBIFRUSFIANU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Sec-butyl-2-(1-phenylethyl)phenol (CAS 2622-83-5), with molecular formula C18H22O and molecular weight 254.17 g/mol. IUPAC: 4-butan-2-yl-2-(1-phenylethyl)phenol.
Chemical Property Profile of 4-Sec-butyl-2-(1-phenylethyl)phenol
Property Insights of 4-Sec-butyl-2-(1-phenylethyl)phenol
The XLogP value of 5.5 indicates that 4-Sec-butyl-2-(1-phenylethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Sec-butyl-2-(1-phenylethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Sec-butyl-2-(1-phenylethyl)phenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Sec-butyl-2-(1-phenylethyl)phenol?
The CAS number of 4-Sec-butyl-2-(1-phenylethyl)phenol is 2622-83-5.
What is the molecular formula of 4-Sec-butyl-2-(1-phenylethyl)phenol?
The molecular formula of 4-Sec-butyl-2-(1-phenylethyl)phenol is C18H22O.
What is the molecular weight of 4-Sec-butyl-2-(1-phenylethyl)phenol?
The molecular weight of 4-Sec-butyl-2-(1-phenylethyl)phenol is 254.17 g/mol.
Where can I buy 4-Sec-butyl-2-(1-phenylethyl)phenol?
You can request a quote for 4-Sec-butyl-2-(1-phenylethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sec-butyl-2-(1-phenylethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Sec-butyl-2-(1-phenylethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.