Basic information
- Standard SMILES
COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2Cl)cc1O- InChIKey
RXQXVRGLDJZDSS-DDEVBNQJSA-N- Molecular formula
- C20H17ClO5
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.0764513
Names & identifiers
- Preferred name
- (1E,6E)-1-(2-chloro-4-hydroxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
- IUPAC
- (1E,6E)-1-(2-chloro-4-hydroxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
Names & synonyms
SCHEMBL1648677CHEMBL3672411RXQXVRGLDJZDSS-DDEVBNQJSA-NBDBM149244US8962674, CU130(1E,6E)-1-(2-chloro-4-hydroxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
Database identifiers
- PubChem CID
- 44538442
- ChEMBL
CHEMBL3672411
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
1 records
Compound notes
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