Basic information
- CAS
88952-80-1- Standard SMILES
COc1ccccc1-c1cc(=O)c2cc(Cl)cc(C)c2o1- InChIKey
XUCJQRPJIWBRBP-UHFFFAOYSA-N- Molecular formula
- C17H13ClO3
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.055322
Names & identifiers
- Preferred name
- 6-Chloro-2-(2-methoxyphenyl)-8-methyl-4H-chromen-4-one
- IUPAC
- 6-chloro-2-(2-methoxyphenyl)-8-methylchromen-4-one
Names & synonyms
88952-80-16-Chloro-2-(2-methoxyphenyl)-8-methyl-4H-chromen-4-oneDTXSID105260496-Chloro-2-(2-methoxyphenyl)-8-methyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
88952-80-1- PubChem CID
- 13190876
- DTXSID
DTXSID10526049
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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