Basic information
- CAS
6310-69-6- Standard SMILES
CN(C)c1ccc(C2(c3ccc(O)cc3O)OC(=O)c3ccccc32)cc1- InChIKey
MQJQOYTVKWWPHJ-UHFFFAOYSA-N- Molecular formula
- C22H19NO4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.13140809
Names & identifiers
- Preferred name
- 3-(2,4-Dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1(3h)-one
- IUPAC
- 3-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Names & synonyms
6310-69-63-(2,4-Dihydroxyphenyl)-3-(4-(dimethylamino)phenyl)isobenzofuran-1(3H)-one3-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1(3h)-oneNSC43938DTXSID30286153NSC-43938
Database identifiers
- CAS
6310-69-6- PubChem CID
- 239134
- DTXSID
DTXSID30286153
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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