Basic information
- CAS
88952-95-8- Standard SMILES
COc1cccc(-c2cc(=O)c3cc(C)c(C)cc3o2)c1- InChIKey
SCBLQPPNVFAQJJ-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- 2-(3-methoxyphenyl)-6,7-dimethyl-4H-chromen-4-one
- IUPAC
- 2-(3-methoxyphenyl)-6,7-dimethylchromen-4-one
Names & synonyms
88952-95-82-(3-methoxyphenyl)-6,7-dimethyl-4H-chromen-4-oneSCHEMBL10037936DTXSID605260592-(3-Methoxyphenyl)-6,7-dimethyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
88952-95-8- PubChem CID
- 13190886
- DTXSID
DTXSID60526059
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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