TL;DR: 2-Methoxy-1-naphthoic acid (CAS 947-62-6) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxynaphthalene-1-carboxylic acid
Also Known As: 2-Methoxy-1-naphthoic acid, 2-methoxynaphthalene-1-carboxylic acid, Methoxynaphthoesaure, 2-Methoxynaphthoic acid, C.I.PigmentRed212
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.06299 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.06299 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C(=O)O |
| InChIKey | OSTYZAHQVPMQHI-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1-naphthoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Methoxy-1-naphthoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-1-naphthoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Methoxy-1-naphthoic acid is 947-62-6.
The molecular formula of 2-Methoxy-1-naphthoic acid is C12H10O3.
The molecular weight of 2-Methoxy-1-naphthoic acid is 202.06299 g/mol.
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