6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one
TL;DR: 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one (CAS 116384-53-3) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-3,5-dimethyl-3H-2-benzofuran-1-one
Also Known As: 3,5-dimethyl-6-hydroxyphthalide, 6-hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one, 6-hydroxy-3,5-dimethyl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,6-hydroxy-3,5-dimethyl-, 1(3H)-Isobenzofuranone, 6-hydroxy-3,5-dimethyl-
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 116384-53-3 |
|---|---|
| SMILES | CC1C2=C(C=C(C(=C2)C)O)C(=O)O1 |
| InChIKey | MINUNBGNWGTVTQ-UHFFFAOYSA-N |
Product Overview
6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one (CAS 116384-53-3), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 6-hydroxy-3,5-dimethyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one
Property Insights of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one has 1 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-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one?
The CAS number of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one is 116384-53-3.
What is the molecular formula of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one?
The molecular formula of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one is C10H10O3.
What is the molecular weight of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one?
The molecular weight of 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one is 178.06 g/mol.
Where can I buy 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one?
You can request a quote for 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-3,5-dimethyl-2-benzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.