TL;DR: 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene (CAS 129179-15-3) is a chemical compound with molecular formula C14H13ClO2 and molecular weight 248.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-chloroethenyl)-2,7-dimethoxynaphthalene
Also Known As: CVDMN, 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene, 1-(1-Chloroethenyl)-2,7-dimethoxynaphthalene, Naphthalene,1-(1-chloroethenyl)-2,7-dimethoxy-, 1-(1-Chloroethen-1-yl)-2,7-dimethoxynaphthalene
| Molecular Formula | C14H13ClO2 |
| Molecular Weight | 248.06041 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06041 Da |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
| SMILES | COC1=CC2=C(C=C1)C=CC(=C2C(=C)Cl)OC |
| InChIKey | NQCVNEINEHFHGF-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene has 0 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 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene is 129179-15-3.
The molecular formula of 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene is C14H13ClO2.
The molecular weight of 1-(1-Chlorovinyl)-2,7-dimethoxynaphthalene is 248.06041 g/mol.
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