Basic information
- CAS
137987-87-2- Standard SMILES
COc1cccc(OCC(=O)c2ccc(O)cc2O)c1- InChIKey
ZCHQGGGXYNOBNW-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)-
- IUPAC
- 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)ethanone
Names & synonyms
1-(2,4-Dihydroxyphenyl)-2-(3-methoxyphenoxy)ethanone137987-87-2BRN 5438870Ethanone, 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)-DTXSID20160413RefChem:341042DTXCID90829041-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)ethan-1-oneCHEMBL3410748STK888944AKOS002181104ST50071356
Show more names
VU0486358-2F3139-1212
Database identifiers
- CAS
137987-87-2- PubChem CID
- 905641
- DTXSID
DTXSID20160413- ChEMBL
CHEMBL3410748
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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