3-Chloro-1-phenylpropanol
TL;DR: 3-Chloro-1-phenylpropanol (CAS 18877-91-3) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-phenylpropan-1-ol
Also Known As: 3-chloro-1-phenylpropan-1-ol, 3-Chloro-1-phenyl-1-propanol, 3-chloro-1-phenylpropanol, 3-Chloro-1-phenyl-propanol, rac 3-Chloro-1-phenylpropanol
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 18877-91-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCCl)O |
| InChIKey | JZFUHAGLMZWKTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-phenylpropanol (CAS 18877-91-3), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 3-chloro-1-phenylpropan-1-ol.
Chemical Property Profile of 3-Chloro-1-phenylpropanol
Property Insights of 3-Chloro-1-phenylpropanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-phenylpropanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-1-phenylpropanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-phenylpropanol has 1 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-Chloro-1-phenylpropanol?
The CAS number of 3-Chloro-1-phenylpropanol is 18877-91-3.
What is the molecular formula of 3-Chloro-1-phenylpropanol?
The molecular formula of 3-Chloro-1-phenylpropanol is C9H11ClO.
What is the molecular weight of 3-Chloro-1-phenylpropanol?
The molecular weight of 3-Chloro-1-phenylpropanol is 170.05 g/mol.
Where can I buy 3-Chloro-1-phenylpropanol?
You can request a quote for 3-Chloro-1-phenylpropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-phenylpropanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-phenylpropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.