Basic information
- Standard SMILES
CCC(C)COC(=O)c1ccc(O)cc1- InChIKey
YCVMFKRVGOAHAA-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
Names & identifiers
- Preferred name
- Benzoic acid, 4-hydroxy-, 2-methylbutyl ester
- IUPAC
- 2-methylbutyl 4-hydroxybenzoate
Names & synonyms
2-methylbutyl p-hydroxybenzoateSCHEMBL71309732-methylbutyl-4-hydroxybenzoate2-METHYLBUTYL 4-HYDROXYBENZOATE4-hydroxybenzoic acid 2-methylbutyl esterp-hydroxybenzoic acid 2-methylbutyl esterp-hydroxybenzoic acid 2-methyl-butyl esterp-hydroxy-benzoic acid 2-methyl-butyl esterBenzoic acid, 4-hydroxy-, 2-methylbutyl ester
Database identifiers
- PubChem CID
- 13530949
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
28 records
Linked notes
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