2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-

HCID 3960962

Basic information

CAS
5082-72-4
Standard SMILES
CC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
AKGIGSUIOWBKLL-UHFFFAOYSA-N
Molecular formula
C18H28O2
Average molar mass
276.4 g/mol
Monoisotopic mass
276.20893014

Names & identifiers

Preferred name
2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
IUPAC
4-(3,5-ditert-butyl-4-hydroxyphenyl)butan-2-one

Names & synonyms

5082-72-42-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-SCHEMBL3922193DTXSID40398251AKGIGSUIOWBKLL-UHFFFAOYSA-NAKOS0015928454-(3,5-di-t-butyl-4-hydroxy-phenyl)butanone-2SR-010003918394-(3,5-di-t-butyl-4-hydroxyphenyl) butane-2-one4-(3,5-di-t-butyl-4-hydroxyphenyl)-butane-2-oneSR-01000391839-13,5-di-tert-butyl-4-hydroxyphenylethyl methyl ketone
Show more names
methyl-(3,5-di-tert.butyl-4-hydroxyphenylethyl)-ketone4-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)BUTAN-2-ONE

Database identifiers

CAS
5082-72-4
PubChem CID
3960962
DTXSID
DTXSID40398251

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20

Related reactions

9 records

Compound notes

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