Basic information
- Standard SMILES
COC(=O)CCc1cc(C(C)C)c(O)c(C(C)(C)C)c1- InChIKey
GLARGGTVHPWLCZ-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(3-tert-butyl-4-hydroxy-5-isopropylphenyl)propionate
- IUPAC
- methyl 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
Names & synonyms
SCHEMBL9419534GLARGGTVHPWLCZ-UHFFFAOYSA-Nmethyl 3-(3-tert-butyl-4-hydroxy-5-isopropylphenyl)propionatemethyl 3-(3-tertbutyl-4-hydroxy-5-isopropylphenyl)propionate
Database identifiers
- PubChem CID
- 20043870
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
3 records
Compound notes
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