(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
TL;DR: (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CAS 119386-12-8) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
Also Known As: c0178, (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol, cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl, J2.762.453G, 3-(4-Chlorophenyl)-3,5-cyclohexadiene-1alpha,2alpha-diol
Technical Specifications
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.04475 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04475 Da |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
| SMILES | C1=C[C@@H]([C@@H](C(=C1)C2=CC=C(C=C2)Cl)O)O |
| InChIKey | AUTJOUWLKSMLFP-NWDGAFQWSA-N |
Chemical Property Profile of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
Property Insights of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol?
The CAS number of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol is 119386-12-8.
What is the molecular formula of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol?
The molecular formula of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol is C12H11ClO2.
What is the molecular weight of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol?
The molecular weight of (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol is 222.04475 g/mol.
Where can I buy (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol?
You can request a quote for (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol?
Yes, CoreyChem provides custom synthesis services for (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.