3-(3-Chlorophenyl)-2-propene-1-ol
TL;DR: 3-(3-Chlorophenyl)-2-propene-1-ol (CAS 119125-31-4) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.0342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chlorophenyl)prop-2-en-1-ol
Also Known As: 3-Chlorocinnamyl alcohol, 3-(3-chlorophenyl)prop-2-en-1-ol, 3-(3-chlorophenyl)-2-propene-1-ol, (E)-3-(3-Chlorophenyl)-prop-2-en-1-ol
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.0342 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 Da |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C=CCO |
| InChIKey | WKUYJSAYZXQXSD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Chlorophenyl)-2-propene-1-ol
Property Insights of 3-(3-Chlorophenyl)-2-propene-1-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chlorophenyl)-2-propene-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-(3-Chlorophenyl)-2-propene-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-2-propene-1-ol 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
What is the CAS number of 3-(3-Chlorophenyl)-2-propene-1-ol?
The CAS number of 3-(3-Chlorophenyl)-2-propene-1-ol is 119125-31-4.
What is the molecular formula of 3-(3-Chlorophenyl)-2-propene-1-ol?
The molecular formula of 3-(3-Chlorophenyl)-2-propene-1-ol is C9H9ClO.
What is the molecular weight of 3-(3-Chlorophenyl)-2-propene-1-ol?
The molecular weight of 3-(3-Chlorophenyl)-2-propene-1-ol is 168.0342 g/mol.
Where can I buy 3-(3-Chlorophenyl)-2-propene-1-ol?
You can request a quote for 3-(3-Chlorophenyl)-2-propene-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Chlorophenyl)-2-propene-1-ol?
Yes, CoreyChem provides custom synthesis services for 3-(3-Chlorophenyl)-2-propene-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.