4-(5-Chloro-2-methylphenyl)-2,2,6,6-tetramethylpyran-3,5-dione

HCID 68486161
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Basic information

Standard SMILES
Cc1ccc(Cl)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O
InChIKey
UNJNTWNIOSRUFJ-UHFFFAOYSA-N
Molecular formula
C16H19ClO3
Average molar mass
294.77 g/mol

Names & identifiers

Preferred name
4-(5-Chloro-2-methylphenyl)-2,2,6,6-tetramethylpyran-3,5-dione
IUPAC
4-(5-chloro-2-methylphenyl)-2,2,6,6-tetramethyloxane-3,5-dione

Names & synonyms

SCHEMBL3029771UNJNTWNIOSRUFJ-UHFFFAOYSA-N4-(5-chloro-2-methylphenyl)-2,2,6,6-tetramethyl-pyran-3,5-dione4-(5-chloro-2-methylphenyl)-2,2,6,6-tetramethylpyran-3,5-dione

Database identifiers

PubChem CID
68486161

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

Related reactions

3 records
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Compound notes

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4-(5-Chloro-2-methylphenyl)-2,2,6,6-tetramethylpyran-3,5-dione (HCID 68486161)｜Huagongshe