(3-(Allyloxy)propyl)benzene
TL;DR: (3-(Allyloxy)propyl)benzene (CAS 93981-51-2) 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-prop-2-enoxypropylbenzene
Also Known As: (3-(Allyloxy)propyl)benzene, [3- propyl]benzene, Allylhydrocinnamyl ether, Hydrocinnamylallyl ether, 3-Phenylpropylallyl ether
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.8218 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 228.1396 |
Chemical Identifiers
| CAS Number | 93981-51-2 |
|---|---|
| SMILES | C=CCOCCCC1=CC=CC=C1 |
Product Overview
(3-(Allyloxy)propyl)benzene (CAS 93981-51-2), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-prop-2-enoxypropylbenzene.
Chemical Property Profile of (3-(Allyloxy)propyl)benzene
Property Insights of (3-(Allyloxy)propyl)benzene
The XLogP value of 2.8218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-(Allyloxy)propyl)benzene. With a topological polar surface area (TPSA) of 9.23 Ų, (3-(Allyloxy)propyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-(Allyloxy)propyl)benzene has 0 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 (3-(Allyloxy)propyl)benzene?
The CAS number of (3-(Allyloxy)propyl)benzene is 93981-51-2.
What is the molecular formula of (3-(Allyloxy)propyl)benzene?
The molecular formula of (3-(Allyloxy)propyl)benzene is C12H16O.
What is the molecular weight of (3-(Allyloxy)propyl)benzene?
The molecular weight of (3-(Allyloxy)propyl)benzene is 176.12 g/mol.
Where can I buy (3-(Allyloxy)propyl)benzene?
You can request a quote for (3-(Allyloxy)propyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(Allyloxy)propyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-(Allyloxy)propyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.