Basic information
- Standard SMILES
CCCC(C(=O)OCC)C(C)(O)c1ccccc1- InChIKey
VCZRWZZVXNUQRM-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- Ethyl 2-Propyl-3-hydroxy-3-methyl-3-phenylpropionate
- IUPAC
- ethyl 2-(1-hydroxy-1-phenylethyl)pentanoate
Names & synonyms
SCHEMBL10904098VCZRWZZVXNUQRM-UHFFFAOYSA-NAKOS005217000AKOS021364430Ethyl 2-Propyl-3-hydroxy-3-methyl-3-phenylpropionate
Database identifiers
- PubChem CID
- 15575787
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Related reactions
2 records
Compound notes
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