Basic information
- CAS
61034-00-2- Standard SMILES
COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1- InChIKey
FVCLGIKIYIZQOE-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Names & identifiers
- Preferred name
- 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
- IUPAC
- 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
Names & synonyms
61034-00-21-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanoneMLS000551330SMR0001452561-(2-Hydroxy-4-methoxy-phenyl)-2-(1-phenyl-1H-pyrazol-4-yl)-ethanone1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanoneOprea1_192500Oprea1_391715cid_692803IFLab1_000521CHEMBL1477333BDBM74765
Show more names
DTXSID00351160HMS1413H15HMS2182J18STL321784AKOS001022519Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)-WAY-380449IDI1_008740
Database identifiers
- CAS
61034-00-2- PubChem CID
- 692803
- DTXSID
DTXSID00351160- ChEMBL
CHEMBL1477333
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…