Basic information
- CAS
4646-78-0- Standard SMILES
COc1c(O)cc(C(=O)c2ccccc2)c(O)c1OC- InChIKey
ACUGRTCKFAXSER-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- (2,5-Dihydroxy-3,4-dimethoxyphenyl)phenylmethanone
- IUPAC
- (2,5-dihydroxy-3,4-dimethoxyphenyl)-phenylmethanone
Names & synonyms
SCHEMBL27864162DTXSID401226283(2,5-dihydroxy-3,4-dimethoxyphenyl)phenylmethanone(2,5-Dihydroxy-3,4-dimethoxyphenyl)(phenyl)methanone4646-78-0
Database identifiers
- CAS
4646-78-0- PubChem CID
- 129686232
- DTXSID
DTXSID401226283
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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