Basic information
- CAS
2150-52-9- Standard SMILES
O=C(C=Cc1ccccc1O)C=Cc1ccccc1O- InChIKey
YNVAHBUBGBLIEY-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.09429431
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,5-Bis(2-hydroxyphenyl)-1,4-pentadien-3-one
- IUPAC
- 1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
Names & synonyms
1,5-Bis(2-hydroxyphenyl)-1,4-pentadien-3-oneca27curcumin analogcurcumin analog ca27RefChem:907009Disalicylalaceton1,4-Pentadien-3-one, 1,5-bis(hydroxyphenyl)-SCHEMBL1160537SCHEMBL29539991YNVAHBUBGBLIEY-UHFFFAOYSA-NDTXSID101258645PD048010NS00049827
Database identifiers
- CAS
2150-52-9- PubChem CID
- 98176
- DTXSID
DTXSID101258645
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
9 records
Compound notes
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