5-(3,4,5,6-Tetramethoxy-2-methylbenzyl)-2-(3-pyridyl)benzoic Acid
Basic information
- Standard SMILES
COc1c(C)c(Cc2ccc(-c3cccnc3)c(C(=O)O)c2)c(OC)c(OC)c1OC- InChIKey
KOCDGCSCXYCXSD-UHFFFAOYSA-N- Molecular formula
- C24H25NO6
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.16818752
Names & identifiers
- Preferred name
- 5-(3,4,5,6-Tetramethoxy-2-methylbenzyl)-2-(3-pyridyl)benzoic Acid
- IUPAC
- 2-pyridin-3-yl-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzoic acid
Names & synonyms
SCHEMBL5859091KOCDGCSCXYCXSD-UHFFFAOYSA-N5-(3,4,5,6-Tetramethoxy-2-methylbenzyl)-2-(3-pyridyl) benzoic acid5-(3,4,5,6-Tetramethoxy-2-methylbenzyl)-2-(3-pyridyl)benzoic Acid
Database identifiers
- PubChem CID
- 12147282
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 574
Related reactions
9 records
Compound notes
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