3-Methyl-3-phenylpentane-1,5-diol
TL;DR: 3-Methyl-3-phenylpentane-1,5-diol (CAS 84100-46-9) 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-3-phenylpentane-1,5-diol
Also Known As: 3-Methyl-3-phenylpentane-1,5-diol, EINECS 282-125-2, 3-Methyl-3-phenyl-pentane-1,5-diol, 1,5-Pentanediol,3-methyl-3-phenyl-, 3-Methyl-3-phenyl-1,5-pentanediol
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 1.7091 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 250.28406 |
Chemical Identifiers
| CAS Number | 84100-46-9 |
|---|---|
| SMILES | CC(CCO)(CCO)C1=CC=CC=C1 |
Product Overview
3-Methyl-3-phenylpentane-1,5-diol (CAS 84100-46-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 3-methyl-3-phenylpentane-1,5-diol.
Chemical Property Profile of 3-Methyl-3-phenylpentane-1,5-diol
Property Insights of 3-Methyl-3-phenylpentane-1,5-diol
The XLogP value of 1.7091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-phenylpentane-1,5-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 3-Methyl-3-phenylpentane-1,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-phenylpentane-1,5-diol has 2 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 3-Methyl-3-phenylpentane-1,5-diol?
The CAS number of 3-Methyl-3-phenylpentane-1,5-diol is 84100-46-9.
What is the molecular formula of 3-Methyl-3-phenylpentane-1,5-diol?
The molecular formula of 3-Methyl-3-phenylpentane-1,5-diol is C12H18O2.
What is the molecular weight of 3-Methyl-3-phenylpentane-1,5-diol?
The molecular weight of 3-Methyl-3-phenylpentane-1,5-diol is 194.13 g/mol.
Where can I buy 3-Methyl-3-phenylpentane-1,5-diol?
You can request a quote for 3-Methyl-3-phenylpentane-1,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-phenylpentane-1,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-phenylpentane-1,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.