Basic information
- Standard SMILES
COP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1- InChIKey
CQKVAAACFQZWSV-UHFFFAOYSA-N- Molecular formula
- C22H31O3P
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.20108184
Names & identifiers
- Preferred name
- (3,5-Di-tert-butyl-4-hydroxy-benzyl)-phenyl-phosphinic acid methyl ester
- IUPAC
- 2,6-ditert-butyl-4-[[methoxy(phenyl)phosphoryl]methyl]phenol
Names & synonyms
SCHEMBL100465CQKVAAACFQZWSV-UHFFFAOYSA-N(3,5-di-tert-butyl-4-hydroxy-benzyl)-phenyl-phosphinic acid methyl ester
Database identifiers
- PubChem CID
- 57909093
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
3 records
Compound notes
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