1-Penten-3-ol, 3-methyl-1-phenyl-
TL;DR: 1-Penten-3-ol, 3-methyl-1-phenyl- (CAS 62232-91-1) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylpent-1-en-3-ol
Also Known As: Styryl methyl ethyl carbinol, 3-Methyl-1-phenylpent-1-en-3-ol, methyl-ethyl-styryl-carbinol, 1-Penten-3-ol, 3-methyl-1-phenyl-, 1-Phenyl-3-methyl-1-penten-3-ol
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 62232-91-1 |
|---|---|
| SMILES | CCC(C)(C=CC1=CC=CC=C1)O |
| InChIKey | BMZIBDNSLIDIFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Penten-3-ol, 3-methyl-1-phenyl- (CAS 62232-91-1), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-methyl-1-phenylpent-1-en-3-ol.
Chemical Property Profile of 1-Penten-3-ol, 3-methyl-1-phenyl-
Property Insights of 1-Penten-3-ol, 3-methyl-1-phenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-ol, 3-methyl-1-phenyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Penten-3-ol, 3-methyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-ol, 3-methyl-1-phenyl- 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 1-Penten-3-ol, 3-methyl-1-phenyl-?
The CAS number of 1-Penten-3-ol, 3-methyl-1-phenyl- is 62232-91-1.
What is the molecular formula of 1-Penten-3-ol, 3-methyl-1-phenyl-?
The molecular formula of 1-Penten-3-ol, 3-methyl-1-phenyl- is C12H16O.
What is the molecular weight of 1-Penten-3-ol, 3-methyl-1-phenyl-?
The molecular weight of 1-Penten-3-ol, 3-methyl-1-phenyl- is 176.12 g/mol.
Where can I buy 1-Penten-3-ol, 3-methyl-1-phenyl-?
You can request a quote for 1-Penten-3-ol, 3-methyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-ol, 3-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-ol, 3-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.