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Basic information
- Standard SMILES
Cc1cc(C(CC(c2cccc(C#CCO)c2)c2ccccc2C)=NO)ccn1- InChIKey
DEARAQFMQUKYIT-UHFFFAOYSA-N- Molecular formula
- C25H24N2O2
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- 3-[3-(3-Hydroxy-prop-1-ynyl)-phenyl]-1-(2-methyl-pyridin-4-yl)-3-o-tolyl-propan-1-one oxime
- IUPAC
- 3-[3-[3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]prop-2-yn-1-ol
Names & synonyms
SCHEMBL1389776DEARAQFMQUKYIT-UHFFFAOYSA-N3-[3-(3-Hydroxy-prop-1-ynyl)-phenyl]-1-(2-methyl-pyridin-4-yl)-3-o-tolyl-propan-1-one oxime
Database identifiers
- PubChem CID
- 136360002
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Related reactions
1 records
Compound notes
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