7-(1-ethoxy-carbonylethyl)oxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

HCID 86741309
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Basic information

Standard SMILES
CCOC(C=C=O)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIKey
XTNZLAIDWJEWLD-UHFFFAOYSA-N
Molecular formula
C20H16O6
Average molar mass
352.3 g/mol

Names & identifiers

Preferred name
7-(1-ethoxy-carbonylethyl)oxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
IUPAC
7-(1-ethoxy-3-oxoprop-2-enoxy)-3-(4-hydroxyphenyl)chromen-4-one

Names & synonyms

SCHEMBL10799822XTNZLAIDWJEWLD-UHFFFAOYSA-N7-(1-ethoxy- carbonylethyl)oxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Database identifiers

PubChem CID
86741309

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
82.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
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Linked notes

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