Benzene, 1-chloro-4-(phenylmethoxy)-
TL;DR: Benzene, 1-chloro-4-(phenylmethoxy)- (CAS 7700-27-8) is a chemical compound with molecular formula C13H11ClO and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-phenylmethoxybenzene
Also Known As: 4-Benzyloxychlorobenzene, 1-(Benzyloxy)-4-chlorobenzene, 1-chloro-4-phenylmethoxybenzene, Benzene,1-chloro-4-(phenylmethoxy)-, Benzyl 4-chlorophenyl ether
| Molecular Formula | C13H11ClO |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04984 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 7700-27-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl |
| InChIKey | OBCBJNFGAMHBTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-(phenylmethoxy)- (CAS 7700-27-8), with molecular formula C13H11ClO and molecular weight 218.05 g/mol. IUPAC: 1-chloro-4-phenylmethoxybenzene.
Chemical Property Profile of Benzene, 1-chloro-4-(phenylmethoxy)-
Property Insights of Benzene, 1-chloro-4-(phenylmethoxy)-
The XLogP value of 4.4 indicates that Benzene, 1-chloro-4-(phenylmethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-chloro-4-(phenylmethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-(phenylmethoxy)- has 0 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 Benzene, 1-chloro-4-(phenylmethoxy)-?
The CAS number of Benzene, 1-chloro-4-(phenylmethoxy)- is 7700-27-8.
What is the molecular formula of Benzene, 1-chloro-4-(phenylmethoxy)-?
The molecular formula of Benzene, 1-chloro-4-(phenylmethoxy)- is C13H11ClO.
What is the molecular weight of Benzene, 1-chloro-4-(phenylmethoxy)-?
The molecular weight of Benzene, 1-chloro-4-(phenylmethoxy)- is 218.05 g/mol.
Where can I buy Benzene, 1-chloro-4-(phenylmethoxy)-?
You can request a quote for Benzene, 1-chloro-4-(phenylmethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-(phenylmethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-(phenylmethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.