Basic information
- CAS
88952-85-6- Standard SMILES
COc1cccc(-c2cc(=O)c3cc(Cl)c(C)cc3o2)c1- InChIKey
RTYTZRWPPQHBMM-UHFFFAOYSA-N- Molecular formula
- C17H13ClO3
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.055322
Names & identifiers
- Preferred name
- 6-Chloro-2-(3-methoxyphenyl)-7-methyl-4H-1-benzopyran-4-one
- IUPAC
- 6-chloro-2-(3-methoxyphenyl)-7-methylchromen-4-one
Names & synonyms
88952-85-6DTXSID605260546-Chloro-2-(3-methoxyphenyl)-7-methyl-4H-1-benzopyran-4-oneRefChem:307795DTXCID704768596-Chloro-2-(3-methoxyphenyl)-7-methyl-4H-chromen-4-one
Database identifiers
- CAS
88952-85-6- PubChem CID
- 13190881
- DTXSID
DTXSID60526054
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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