Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-
TL;DR: Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- (CAS 25982-72-3) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenylbut-3-en-2-ol
Also Known As: 2-Methyl-3-phenyl-3-buten-2-ol, 2-methyl-3-phenylbut-3-en-2-ol, 2-methyl-3-phenyl-but-3-en-2-ol, 2-Methyl-3-phenyl-3-butene-2-ol, 2-Methyl-3-phenyl-3-buten-2-ol #
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 25982-72-3 |
|---|---|
| SMILES | CC(C)(C(=C)C1=CC=CC=C1)O |
| InChIKey | IBHTVMUPFNHFLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- (CAS 25982-72-3), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2-methyl-3-phenylbut-3-en-2-ol.
Chemical Property Profile of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-
Property Insights of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-. With a topological polar surface area (TPSA) of 20.2 Ų, Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- has 1 hydrogen bond donor(s) and 1 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 Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-?
The CAS number of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- is 25982-72-3.
What is the molecular formula of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-?
The molecular formula of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- is C11H14O.
What is the molecular weight of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-?
The molecular weight of Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- is 162.10 g/mol.
Where can I buy Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-?
You can request a quote for Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanol, alpha,alpha-dimethyl-beta-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanol, alpha,alpha-dimethyl-beta-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.