![4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol structure](/static/products/4013/40135-87-3.webp)
4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol
TL;DR: 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol (CAS 40135-87-3) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1,3-benzodioxol-5-yl)propyl]phenol
Also Known As: 4-[3-(1,3-benzodioxol-5-yl)propyl]phenol, 4-[3-(2H-1,3-Benzodioxol-5-yl)propyl]phenol
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 40135-87-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCCC3=CC=C(C=C3)O |
| InChIKey | CUJPSAGBFRSSQP-UHFFFAOYSA-N |
Product Overview
4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol (CAS 40135-87-3), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 4-[3-(1,3-benzodioxol-5-yl)propyl]phenol.
Chemical Property Profile of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol
Property Insights of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol
The XLogP value of 4.3 indicates that 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol 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 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol?
The CAS number of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol is 40135-87-3.
What is the molecular formula of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol?
The molecular formula of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol is C16H16O3.
What is the molecular weight of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol?
The molecular weight of 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol is 256.11 g/mol.
Where can I buy 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol?
You can request a quote for 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.