1,1-Dimethoxy-3-phenylpropane
TL;DR: 1,1-Dimethoxy-3-phenylpropane (CAS 30076-98-3) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethoxypropylbenzene
Also Known As: 1,1-Dimethoxy-3-phenylpropane, (3,3-Dimethoxypropyl)benzene, 3,3-dimethoxypropylbenzene, Benzene, (3,3-dimethoxypropyl)-, benzene,(3,3-dimethoxypropyl)-
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 30076-98-3 |
|---|---|
| SMILES | COC(CCC1=CC=CC=C1)OC |
| InChIKey | PQAOFUQAZBGCQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethoxy-3-phenylpropane (CAS 30076-98-3), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 3,3-dimethoxypropylbenzene.
Chemical Property Profile of 1,1-Dimethoxy-3-phenylpropane
Property Insights of 1,1-Dimethoxy-3-phenylpropane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethoxy-3-phenylpropane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Dimethoxy-3-phenylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethoxy-3-phenylpropane has 0 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 1,1-Dimethoxy-3-phenylpropane?
The CAS number of 1,1-Dimethoxy-3-phenylpropane is 30076-98-3.
What is the molecular formula of 1,1-Dimethoxy-3-phenylpropane?
The molecular formula of 1,1-Dimethoxy-3-phenylpropane is C11H16O2.
What is the molecular weight of 1,1-Dimethoxy-3-phenylpropane?
The molecular weight of 1,1-Dimethoxy-3-phenylpropane is 180.12 g/mol.
Where can I buy 1,1-Dimethoxy-3-phenylpropane?
You can request a quote for 1,1-Dimethoxy-3-phenylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethoxy-3-phenylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethoxy-3-phenylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.