4-Benzyloxyphenylacetone
TL;DR: 4-Benzyloxyphenylacetone (CAS 56346-57-7) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenylmethoxyphenyl)propan-2-one
Also Known As: 4-Benzyloxyphenylacetone, 1-(4-(Benzyloxy)phenyl)propan-2-one, 1-[4-(Benzyloxy)phenyl]acetone, 4-Benzyloxy-phenylaceton, 1-(4-phenylmethoxyphenyl)propan-2-one
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 56346-57-7 |
|---|---|
| SMILES | CC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2 |
| InChIKey | NNFOTEQKNPUXGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyloxyphenylacetone (CAS 56346-57-7), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: 1-(4-phenylmethoxyphenyl)propan-2-one.
Chemical Property Profile of 4-Benzyloxyphenylacetone
Property Insights of 4-Benzyloxyphenylacetone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyloxyphenylacetone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Benzyloxyphenylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxyphenylacetone has 0 hydrogen bond donor(s) and 2 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 4-Benzyloxyphenylacetone?
The CAS number of 4-Benzyloxyphenylacetone is 56346-57-7.
What is the molecular formula of 4-Benzyloxyphenylacetone?
The molecular formula of 4-Benzyloxyphenylacetone is C16H16O2.
What is the molecular weight of 4-Benzyloxyphenylacetone?
The molecular weight of 4-Benzyloxyphenylacetone is 240.12 g/mol.
Where can I buy 4-Benzyloxyphenylacetone?
You can request a quote for 4-Benzyloxyphenylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxyphenylacetone?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxyphenylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.