Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-
TL;DR: Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- (CAS 31002-87-6) 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.
2-(3-chlorophenyl)propan-2-ol
Also Known As: 2-(3-chlorophenyl)propan-2-ol, 2-(3-Chlorophenyl)-2-propanol, 3-chlorocumyl alcohol, Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-, 3-Chloro-a,a-dimethylbenzenemethanol
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 31002-87-6 |
|---|---|
| SMILES | CC(C)(C1=CC(=CC=C1)Cl)O |
| InChIKey | HCPZQCJXGLSMEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- (CAS 31002-87-6), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-(3-chlorophenyl)propan-2-ol.
Chemical Property Profile of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-
Property Insights of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- 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 Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-?
The CAS number of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- is 31002-87-6.
What is the molecular formula of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-?
The molecular formula of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- is C9H11ClO.
What is the molecular weight of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-?
The molecular weight of Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- is 170.05 g/mol.
Where can I buy Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-?
You can request a quote for Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 3-chloro-alpha,alpha-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.