1-Phenyl-3-methyl-3-pentanol
TL;DR: 1-Phenyl-3-methyl-3-pentanol (CAS 10415-87-9) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylpentan-3-ol
Also Known As: 3-Methyl-1-phenyl-3-pentanol, 3-Methyl-1-phenylpentan-3-ol, Pemec, lilac pentanol, 1-Phenyl-3-methyl-3-pentanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
| Boiling Point | 112.00 to 112.50 °C. @ 0.80 mm Hg |
| Density | 0.958-0.965 (20°) |
| Solubility | very slightly |
| Refractive Index | 1.508-1.514 |
Chemical Identifiers
| CAS Number | 10415-87-9 |
|---|---|
| SMILES | CCC(C)(CCC1=CC=CC=C1)O |
| InChIKey | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-methyl-3-pentanol (CAS 10415-87-9), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-methyl-1-phenylpentan-3-ol.
Chemical Property Profile of 1-Phenyl-3-methyl-3-pentanol
Property Insights of 1-Phenyl-3-methyl-3-pentanol
The XLogP value of 3.0 indicates that 1-Phenyl-3-methyl-3-pentanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Phenyl-3-methyl-3-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-methyl-3-pentanol 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-Phenyl-3-methyl-3-pentanol?
The CAS number of 1-Phenyl-3-methyl-3-pentanol is 10415-87-9.
What is the molecular formula of 1-Phenyl-3-methyl-3-pentanol?
The molecular formula of 1-Phenyl-3-methyl-3-pentanol is C12H18O.
What is the molecular weight of 1-Phenyl-3-methyl-3-pentanol?
The molecular weight of 1-Phenyl-3-methyl-3-pentanol is 178.14 g/mol.
Where can I buy 1-Phenyl-3-methyl-3-pentanol?
You can request a quote for 1-Phenyl-3-methyl-3-pentanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-methyl-3-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-methyl-3-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.