5-Hydroxy-4-(4-methoxyphenyl)-7-methyl-2H-1-benzopyran-2-one
Basic information
- CAS
52604-31-6- Standard SMILES
COc1ccc(-c2cc(=O)oc3cc(C)cc(O)c23)cc1- InChIKey
LHQPNELGEXJAPC-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 5-Hydroxy-4-(4-methoxyphenyl)-7-methyl-2H-1-benzopyran-2-one
- IUPAC
- 5-hydroxy-4-(4-methoxyphenyl)-7-methylchromen-2-one
Names & synonyms
DTXSID70118383052604-31-65-Hydroxy-4-(4-methoxyphenyl)-7-methyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
52604-31-6- PubChem CID
- 33780682
- DTXSID
DTXSID701183830
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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