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Basic information
- Standard SMILES
COC(=O)c1ccc(C#N)cc1-c1ccccc1C- InChIKey
XAHOKSLTUGVQBL-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- Methyl 4-cyano-2-(2-methylphenyl)benzoate
- IUPAC
- methyl 4-cyano-2-(2-methylphenyl)benzoate
Names & synonyms
478908-75-7Methyl 5-cyano-2'-methyl-[1,1'-biphenyl]-2-carboxylateMethyl 4-cyano-2-(2-methylphenyl)benzoateSCHEMBL6776888XAHOKSLTUGVQBL-UHFFFAOYSA-NCS-0452783[1,1'-Biphenyl]-2-carboxylicacid,5-cyano-2'-methyl-,methylester[1,1'-Biphenyl]-2-carboxylic acid, 5-cyano-2'-methyl-, methyl ester
Database identifiers
- PubChem CID
- 11615778
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
2 records
Compound notes
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