(1E,6E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

HCID 44538441
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Basic information

Standard SMILES
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2Cl)ccc1O
InChIKey
DUPPRTUHVNSIFZ-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-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
IUPAC
(1E,6E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

Names & synonyms

SCHEMBL1646372CHEMBL3672410DUPPRTUHVNSIFZ-DDEVBNQJSA-NBDBM149243US8962674, CU129(1E,6E)-1-(2-chloro-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

Database identifiers

PubChem CID
44538441
ChEMBL
CHEMBL3672410

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

Related reactions

1 records
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Compound notes

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