Basic information
- CAS
385401-17-2- Standard SMILES
CCc1cc(-c2[nH]ncc2Oc2ccccc2)c(O)cc1O- InChIKey
CNJFYVMPHWHMIT-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.11609238
Names & identifiers
- Preferred name
- 4-ethyl-6-(4-phenoxy-1H-pyrazol-3-yl)-1,3-Benzenediol
- IUPAC
- 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol
Names & synonyms
385401-17-24-ethyl-6-(4-phenoxy-1H-pyrazol-3-yl)-1,3-Benzenediol4-ethyl-6-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diolCHEMBL3811494-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diolAC1OA256IFLab1_003226Cambridge id 6640337Oprea1_441561Oprea1_674481SCHEMBL717437DTXSID60425290
Show more names
HMS1421C14BDBM50182501DA-06260AB00113691-01AF-399/149454974-ethyl-6-[4-(phenyloxy)-1H-pyrazol-3-yl]benzene-1,3-diol4-Ethyl-3-hydroxy-6-(4-phenoxy-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
385401-17-2- PubChem CID
- 854652
- DTXSID
DTXSID60425290- ChEMBL
CHEMBL381149
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
LogP3.93
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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