o-Methylchalcone
Basic information
- CAS
16619-28-6- Standard SMILES
Cc1ccccc1C=CC(=O)c1ccccc1- InChIKey
JTDWYVCDAANOSR-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- o-Methylchalcone
- IUPAC
- 3-(2-methylphenyl)-1-phenylprop-2-en-1-one
Names & synonyms
o-methylchalconeDTXSID5032684822966-01-4RefChem:366493DTXCID902779613-(2-methylphenyl)-1-phenylprop-2-en-1-one(2E)-3-(2-Methylphenyl)-1-phenylprop-2-en-1-onemethyl chalcone16619-28-6SCHEMBL351853JTDWYVCDAANOSR-UHFFFAOYSA-NAKOS017085624
Show more names
3-(o-tolyl)-1-phenyl-prop-2-en-1-oneNCI60_0055643-(2-Methylphenyl)-1-phenyl-2-propen-1-one
Database identifiers
- CAS
16619-28-6、22966-01-4- PubChem CID
- 358407
- DTXSID
DTXSID50326848
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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