2-Butanol, 1-benzyloxy-3-methyl-
TL;DR: 2-Butanol, 1-benzyloxy-3-methyl- (CAS 80325-76-4) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylmethoxybutan-2-ol
Also Known As: 1-(benzyloxy)-3-methylbutan-2-ol, 1-(Benzyloxy)-3-methyl-2-butanol, 2-Butanol, 1-benzyloxy-3-methyl-, 3-methyl-1-phenylmethoxybutan-2-ol, 1-(Benzyloxy)-3-methyl-2-butanol #
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 80325-76-4 |
|---|---|
| SMILES | CC(C)C(COCC1=CC=CC=C1)O |
| InChIKey | DCKLZVQIWHKUBN-UHFFFAOYSA-N |
Product Overview
2-Butanol, 1-benzyloxy-3-methyl- (CAS 80325-76-4), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 3-methyl-1-phenylmethoxybutan-2-ol.
Chemical Property Profile of 2-Butanol, 1-benzyloxy-3-methyl-
Property Insights of 2-Butanol, 1-benzyloxy-3-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanol, 1-benzyloxy-3-methyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Butanol, 1-benzyloxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanol, 1-benzyloxy-3-methyl- has 1 hydrogen bond donor(s) and 2 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 2-Butanol, 1-benzyloxy-3-methyl-?
The CAS number of 2-Butanol, 1-benzyloxy-3-methyl- is 80325-76-4.
What is the molecular formula of 2-Butanol, 1-benzyloxy-3-methyl-?
The molecular formula of 2-Butanol, 1-benzyloxy-3-methyl- is C12H18O2.
What is the molecular weight of 2-Butanol, 1-benzyloxy-3-methyl-?
The molecular weight of 2-Butanol, 1-benzyloxy-3-methyl- is 194.13 g/mol.
Where can I buy 2-Butanol, 1-benzyloxy-3-methyl-?
You can request a quote for 2-Butanol, 1-benzyloxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol, 1-benzyloxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol, 1-benzyloxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.