2-Benzylbenzyl alcohol
TL;DR: 2-Benzylbenzyl alcohol (CAS 1586-00-1) is a chemical compound with molecular formula C14H14O and molecular weight 198.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-benzylphenyl)methanol
Also Known As: (2-Benzylphenyl)methanol, 2-Benzylbenzyl alcohol, 2-Benzylbenzylalcohol, Benzyl alcohol, o-benzyl-, o-benzylbenzyl alcohol
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H14O |
| Molecular Weight | 198.10446 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10446 Da |
| Heavy Atoms | 15 |
| Complexity | 172.0 |
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2CO |
| InChIKey | GTKWHQWJTVWORA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzylbenzyl alcohol
Property Insights of 2-Benzylbenzyl alcohol
The XLogP value of 3.0 indicates that 2-Benzylbenzyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Benzylbenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylbenzyl alcohol 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
What is the CAS number of 2-Benzylbenzyl alcohol?
The CAS number of 2-Benzylbenzyl alcohol is 1586-00-1.
What is the molecular formula of 2-Benzylbenzyl alcohol?
The molecular formula of 2-Benzylbenzyl alcohol is C14H14O.
What is the molecular weight of 2-Benzylbenzyl alcohol?
The molecular weight of 2-Benzylbenzyl alcohol is 198.10446 g/mol.
Where can I buy 2-Benzylbenzyl alcohol?
You can request a quote for 2-Benzylbenzyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzylbenzyl alcohol?
Yes, CoreyChem provides custom synthesis services for 2-Benzylbenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.