2,6-Di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-l-one

HCID 15294543

Basic information

Standard SMILES
CC(C)(C)C1=CC(=Nc2ccc(C(=O)O)cc2)C=C(C(C)(C)C)C1=O
InChIKey
UXOUMJXSKFRVRG-UHFFFAOYSA-N
Molecular formula
C21H25NO3
Average molar mass
339.4 g/mol

Names & identifiers

Preferred name
2,6-Di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-l-one
IUPAC
4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoic acid

Names & synonyms

SCHEMBL8971776UXOUMJXSKFRVRG-UHFFFAOYSA-N2,6-di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-1-one2,6-di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-l-one2,6-di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cylohexadien-1-one

Database identifiers

PubChem CID
15294543

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
66.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
25

Related reactions

17 records

Linked notes

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