Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(O)cc1CO- InChIKey
HBUCOJJHCABBQI-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-2-hydroxymethylphenoxy)-2-methylpropionic acid ethyl ester
- IUPAC
- ethyl 2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-2-methylpropanoate
Names & synonyms
SCHEMBL3922298HBUCOJJHCABBQI-UHFFFAOYSA-N2-(4-Hydroxy-2-hydroxymethyl-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-hydroxy-2-hydroxymethylphenoxy)-2-methylpropionic acid ethyl ester
Database identifiers
- PubChem CID
- 23590010
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
4 records
Compound notes
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