3-Methoxy-2-methyl-6-(4-phenyl-1H-pyrazol-3-YL)phenol
Basic information
- CAS
385401-10-5- Standard SMILES
COc1ccc(-c2[nH]ncc2-c2ccccc2)c(O)c1C- InChIKey
QAGFFBCOJCZCLX-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 3-Methoxy-2-methyl-6-(4-phenyl-1H-pyrazol-3-YL)phenol
- IUPAC
- 3-methoxy-2-methyl-6-(4-phenyl-1H-pyrazol-5-yl)phenol
Names & synonyms
3-methoxy-2-methyl-6-(4-phenyl-1H-pyrazol-3-yl)phenol385401-10-5RefChem:503072651-077-8ZINC00239709Cambridge id 6642893Oprea1_498742Oprea1_586069IFLab1_003209HMS1421B19AKOS001631497EU-0006082
Show more names
AB00113830-01AF-399/14944293SR-01000444007SR-01000444007-13-methoxy-2-methyl-6-(4-phenyl-1H-pyrazol-5-yl)phenol
Database identifiers
- CAS
385401-10-5- PubChem CID
- 764772
- EC Number
- 651-077-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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