6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one
TL;DR: 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one (CAS 20633-31-2) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3,3-dimethyl-6-phenyloxan-2-one
Also Known As: 6-methoxy-3,3-dimethyl-6-phenyloxan-2-one
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 20633-31-2 |
|---|---|
| SMILES | CC1(CCC(OC1=O)(C2=CC=CC=C2)OC)C |
| InChIKey | RDONLPBLDMMOLE-UHFFFAOYSA-N |
Product Overview
6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one (CAS 20633-31-2), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 6-methoxy-3,3-dimethyl-6-phenyloxan-2-one.
Chemical Property Profile of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one
Property Insights of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one has 0 hydrogen bond donor(s) and 3 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 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one?
The CAS number of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one is 20633-31-2.
What is the molecular formula of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one?
The molecular formula of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one is C14H18O3.
What is the molecular weight of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one?
The molecular weight of 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one is 234.13 g/mol.
Where can I buy 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one?
You can request a quote for 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-3,3-dimethyl-6-phenyloxan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.