3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid

HCID 60194

Basic information

CAS
107738-17-0
Standard SMILES
CC(C)(C)c1cc(Nc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1O
InChIKey
DOBUKWPISJBXBD-UHFFFAOYSA-N
Molecular formula
C21H27NO3
Average molar mass
341.4 g/mol
Monoisotopic mass
341.19909372

Names & identifiers

Preferred name
3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid
IUPAC
3-(3,5-ditert-butyl-4-hydroxyanilino)benzoic acid

Names & synonyms

QP7RGXUEUS3-(3,5-DI-T-BUTYL-4-HYDROXYANILINO)BENZOIC ACID107738-17-03-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]amino]benzoic acidBenzoic acid, 3-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)amino)-3-[(3,5-di-tert-butyl-4-hydroxyphenyl)amino]benzoic acidUNII-QP7RGXUEUS3-(3,5-Di-tert-butyl-4-hydroxyanilino)benzoic acidSCHEMBL7701421SCHEMBL31046595DTXSID20275652DOBUKWPISJBXBD-UHFFFAOYSA-N
Show more names
2,6-di-tert-butyl-4-(3-carboxyphenylamino)phenol4-(3-carboxyphenylamino)-2,6-di-tert-butylphenol3-(3,5-di-tertiary-butyl-4-hydroxyanilino)benzoic acid

Database identifiers

CAS
107738-17-0
PubChem CID
60194
DTXSID
DTXSID20275652
UNII
QP7RGXUEUS
Nikkaji
J976.249C

Properties

Computed structural properties

XLogP
6
Topological polar surface area
69.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Related reactions

25 records

Compound notes

Loading…