TL;DR: [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol (CAS 111808-94-7) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
Also Known As: [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol, 5-(4-CHLOROPHENYL)-3-HYDROXYMETHYL-2-METHYLFURAN, (5-(4-Chlorophenyl)-2-methylfuran-3-yl)methanol, 3-Furanmethanol,5-(4-chlorophenyl)-2-methyl-, 3-Furanmethanol, 5-(4-chlorophenyl)-2-methyl-
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.04475 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 33.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.04475 Da |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
| SMILES | CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)CO |
| InChIKey | GQHKNJRCVPQMQL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol. With a topological polar surface area (TPSA) of 33.4 Ų, [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol is 111808-94-7.
The molecular formula of [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol is C12H11ClO2.
The molecular weight of [5-(4-Chlorophenyl)-2-methylfuran-3-yl]methanol is 222.04475 g/mol.
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