Phenol, ethylmethyl-
TL;DR: Phenol, ethylmethyl- (CAS 30230-52-5) is a chemical compound with molecular formula C27H36O3 and molecular weight 408.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-methylphenol;3-ethyl-2-methylphenol;4-ethyl-2-methylphenol
Also Known As: Phenol, ethylmethyl-, ETHYLMETHYLPHENOL, Ethylmethylphenol (mixed isomers), 2-ethyl-5-methylphenol; 3-ethyl-2-methylphenol; 4-ethyl-2-methylphenol
| Molecular Formula | C27H36O3 |
|---|---|
| Molecular Weight | 408.27 g/mol |
| LogP | 6.79 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.26645 |
| Heavy Atoms | 30 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 30230-52-5 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)O)C.CCC1=C(C(=CC=C1)O)C.CCC1=C(C=C(C=C1)C)O |
| InChIKey | CIOIFXPZFZXZTN-UHFFFAOYSA-N |
Product Overview
Phenol, ethylmethyl- (CAS 30230-52-5), with molecular formula C27H36O3 and molecular weight 408.27 g/mol. IUPAC: 2-ethyl-5-methylphenol;3-ethyl-2-methylphenol;4-ethyl-2-methylphenol.
Chemical Property Profile of Phenol, ethylmethyl-
Property Insights of Phenol, ethylmethyl-
The XLogP value of 6.79 indicates that Phenol, ethylmethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, ethylmethyl-. Following Lipinski's Rule of Five, Phenol, ethylmethyl- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, ethylmethyl-?
The CAS number of Phenol, ethylmethyl- is 30230-52-5.
What is the molecular formula of Phenol, ethylmethyl-?
The molecular formula of Phenol, ethylmethyl- is C27H36O3.
What is the molecular weight of Phenol, ethylmethyl-?
The molecular weight of Phenol, ethylmethyl- is 408.27 g/mol.
Where can I buy Phenol, ethylmethyl-?
You can request a quote for Phenol, ethylmethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, ethylmethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, ethylmethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.