2-Methyl-6-[3-(quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic acid
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Basic information
- Standard SMILES
Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1C(=O)O- InChIKey
XMXOIKWCPWJDMR-UHFFFAOYSA-N- Molecular formula
- C25H21NO4
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.14705815
Names & identifiers
- Preferred name
- 2-Methyl-6-[3-(quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic acid
- IUPAC
- 2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
Names & synonyms
SCHEMBL5725146XMXOIKWCPWJDMR-UHFFFAOYSA-N2-Methyl-6-[3-(quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic acid
Database identifiers
- PubChem CID
- 9801062
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
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Related reactions
2 records
Compound notes
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