(2-Hydroxy-3-methoxy-5-methylphenyl)(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Basic information
- CAS
7598-98-3- Standard SMILES
COc1cc(C)cc(C(=O)C2=NNCC2c2ccccc2)c1O- InChIKey
XZNWSHLSVOUMIA-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13174244
Names & identifiers
- Preferred name
- (2-Hydroxy-3-methoxy-5-methylphenyl)(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
- IUPAC
- (2-hydroxy-3-methoxy-5-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Names & synonyms
7598-98-3NSC405854DTXSID90324141NSC-405854(2-Hydroxy-3-methoxy-5-methylphenyl)(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Database identifiers
- CAS
7598-98-3- PubChem CID
- 347277
- DTXSID
DTXSID90324141
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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