5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

HCID 370541

Basic information

Standard SMILES
CC1(C)OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1
InChIKey
JPPNMIXVIYOENU-UHFFFAOYSA-N
Molecular formula
C13H12O5
Average molar mass
248.23 g/mol
Monoisotopic mass
248.06847348

Names & identifiers

Preferred name
5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC
5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Names & synonyms

17474-27-05-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneIsopropylidene p-hydroxybenzylidene malonateMalonic acid, (p-hydroxybenzylidene)-, cyclic isopropylidene esterMFCD001285505-[(4-hydroxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC643768SCHEMBL435198CHEMBL12140315-(4-Hydroxy-benzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione5-[4-hydroxybenzylidene]-2,2-dimethyl-4,6-dioxo-1,3-dioxane
Show more names
AKOS016670660NSC-643768AS-72109NCI60_014825DB-332810W182355-(4-hydroxy-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-(4-hydroxybenzylidene)-2,2-dimethyl-[1, 3]dioxane-4,6-dione

Database identifiers

PubChem CID
370541
ChEMBL
CHEMBL1214031
Nikkaji
J144.937K

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
18

Related reactions

23 records

Compound notes

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