2-(4-Hydroxy-3-methoxyphenyl)indene-1,3-dione
Basic information
- CAS
51870-22-5- Standard SMILES
COc1cc(C2C(=O)c3ccccc3C2=O)ccc1O- InChIKey
ZIRRXRUAOFLWMK-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-3-methoxyphenyl)indene-1,3-dione
- IUPAC
- 2-(4-hydroxy-3-methoxyphenyl)indene-1,3-dione
Names & synonyms
51870-22-52-(4-hydroxy-3-methoxyphenyl)-1H-indene-1,3(2H)-dione2-(4-hydroxy-3-methoxyphenyl)indene-1,3-dioneNSC508519MLS001179420CHEMBL1351286DTXSID00325462HMS2829N12NSC-508519SMR000477713
Database identifiers
- CAS
51870-22-5- PubChem CID
- 350194
- DTXSID
DTXSID00325462- ChEMBL
CHEMBL1351286
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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