(E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxyphenyl)hept-1-ene-3,5-dione

HCID 44538541
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Basic information

Standard SMILES
O=C(/C=C/c1ccc(O)cc1Cl)CC(=O)CCc1ccc(O)cc1
InChIKey
YWIYTAKOMPDGSS-RUDMXATFSA-N
Molecular formula
C19H17ClO4
Average molar mass
344.8 g/mol

Names & identifiers

Preferred name
(E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxyphenyl)hept-1-ene-3,5-dione
IUPAC
(E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxyphenyl)hept-1-ene-3,5-dione

Names & synonyms

SCHEMBL1645491CHEMBL3677232YWIYTAKOMPDGSS-RUDMXATFSA-NBDBM149310US8962674, CU522(E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxyphenyl)hept-1-ene-3,5-dione

Database identifiers

PubChem CID
44538541
ChEMBL
CHEMBL3677232

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
24

Related reactions

1 records
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Compound notes

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