TL;DR: 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol (CAS 117211-92-4) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(3-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
Also Known As: NCI60_004514, 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol, 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(3-methoxyphenyl)-6-methyl-, 8-(3-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol, 8-(3-Methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.11542 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.11542 Da |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
| SMILES | CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=CC=C4)OC)O |
| InChIKey | OBEWQTCNLDQARO-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol is 117211-92-4.
The molecular formula of 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol is C18H18O5.
The molecular weight of 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol is 314.11542 g/mol.
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