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
- Formal charge
- 0
- Complexity
- 439
Related reactions
25 records
Compound notes
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