2-Methyl-4-(5-methyl-4-(4-propyl-phenoxy)-1H-pyrazol-3-YL)-benzene-1,3-diol
Basic information
- CAS
394228-79-6- Standard SMILES
CCCc1ccc(Oc2c(-c3ccc(O)c(C)c3O)n[nH]c2C)cc1- InChIKey
BONHWABVHFBUKR-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- 2-Methyl-4-(5-methyl-4-(4-propyl-phenoxy)-1H-pyrazol-3-YL)-benzene-1,3-diol
- IUPAC
- 2-methyl-4-[5-methyl-4-(4-propylphenoxy)-1H-pyrazol-3-yl]benzene-1,3-diol
- English name
- 2-Methyl-4-(5-methyl-4-(4-propyl-phenoxy)-1H-pyrazol-3-yl)-benzene-1,3-diol
- Molecular weight
- 0
Names & synonyms
SMR000107411MLS000111489Oprea1_648172Oprea1_726791MLS002540753CHEMBL1311755HMS2426H13MFCD01972244AKOS001631549ST088136SR-01000443696SR-01000443696-1
Show more names
2-methyl-4-[5-methyl-4-(4-propylphenoxy)pyrazol-3-yl]benzene-1,3-diol2-METHYL-4-(5-METHYL-4-(4-PROPYL-PHENOXY)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL2-methyl-4-[5-methyl-4-(4-propylphenoxy)-1H-pyrazol-3-yl]-1,3-benzenediol
Database identifiers
- CAS
394228-79-6- PubChem CID
- 764699
- ChEMBL
CHEMBL1311755- EC Number
- 167-194-8
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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