3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol
TL;DR: 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol (CAS 17581-86-1) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
Also Known As: 3'-Hydroxyisosafrole, Dioxymethylenecinnamyl alcohol, 3,4-Methylenedioxycinnamyl alcohol, 3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol, trans-3,4-Methylenedioxycinnamyl alcohol
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 17581-86-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CCO |
| InChIKey | JQZASRHQYJJUCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol (CAS 17581-86-1), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol
Property Insights of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol has 1 hydrogen bond donor(s) and 3 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-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol?
The CAS number of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol is 17581-86-1.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol is C10H10O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol is 178.06 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.