Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-
TL;DR: Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- (CAS 72417-80-2) is a chemical compound with molecular formula C21H18O3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)-phenylmethoxy]benzoic acid
Also Known As: Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-, 2-[(4-methylphenyl)-phenylmethoxy]benzoic acid, 2-[(4-methylphenyl)(phenyl)methoxy]benzoic acid
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 72417-80-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CC=CC=C3C(=O)O |
| InChIKey | QDDATWYLCBDBLQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- (CAS 72417-80-2), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: 2-[(4-methylphenyl)-phenylmethoxy]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-
Property Insights of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-
The XLogP value of 5.1 indicates that Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-?
The CAS number of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- is 72417-80-2.
What is the molecular formula of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-?
The molecular formula of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- is C21H18O3.
What is the molecular weight of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-?
The molecular weight of Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- is 318.13 g/mol.
Where can I buy Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-?
You can request a quote for Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((4-methylphenyl)phenylmethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.