3-Hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
Basic information
- CAS
82105-34-8- Standard SMILES
Cc1ccc(C(O)C(C)C(=O)c2ccccc2)cc1- InChIKey
VMHIDNSPRCRSKI-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- 3-Hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
- IUPAC
- 3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
- English name
- 3-Hydroxy-2-methyl-1-phenyl-3-p-tolyl-propan-1-one
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
82105-34-8DTXSID105091553-HYDROXY-2-METHYL-3-(4-METHYLPHENYL)-1-PHENYLPROPAN-1-ONERefChem:279788DTXCID904599623-Hydroxy-2-methyl-1-phenyl-3-(p-tolyl)propan-1-one3-Hydroxy-2-methyl-1-phenyl-3-p-tolyl-propan-1-oneAKOS015965944AC-209731-Propanone, 3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenyl-, (2R,3R)-rel-
Database identifiers
- CAS
82105-34-8- PubChem CID
- 12759346
- DTXSID
DTXSID10509155- Nikkaji
- J271.349G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 421.4 · 421.4±40.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 13.75 · 13.75±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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