1,2-Bis(4-hydroxy-3-methoxyphenyl)ethanone
Basic information
- CAS
5438-67-5- Standard SMILES
COc1cc(CC(=O)c2ccc(O)c(OC)c2)ccc1O- InChIKey
URFHJEVBFJOWKL-UHFFFAOYSA-N- Molecular formula
- C16H16O5
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09977361
Overview
1,2-bis(4-hydroxy-3-methoxyphenyl)ethanone has been reported in Melicope semecarpifolia with data available.
Names & identifiers
- Preferred name
- 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethanone
- IUPAC
- 1,2-bis(4-hydroxy-3-methoxyphenyl)ethanone
Names & synonyms
1,2-bis(4-hydroxy-3-methoxyphenyl)ethanone5438-67-5DTXSID80280404RefChem:71716DTXCID40231558NSC167241,2-bis(4-hydroxy-3-methoxyphenyl)ethan-1-oneSCHEMBL28447398NSC-16724
Database identifiers
- CAS
5438-67-5- PubChem CID
- 226344
- DTXSID
DTXSID80280404- Nikkaji
- J1.356.650J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
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Related reactions
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Compound notes
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