Basic information
- Standard SMILES
CCOC(=O)C1(c2cc(O)cc(F)c2)CCOCC1- InChIKey
WSNKLYIWJLWVDJ-UHFFFAOYSA-N- Molecular formula
- C14H17FO4
- Average molar mass
- 268.28 g/mol
- Monoisotopic mass
- 268.11108718
Names & identifiers
- Preferred name
- 4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl
- IUPAC
- ethyl 4-(3-fluoro-5-hydroxyphenyl)oxane-4-carboxylate
Names & synonyms
179420-67-84-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethylethyl 4-(3-fluoro-5-hydroxyphenyl)oxane-4-carboxylate4-(3-Fluoro-5-hydroxyphenyl)tetrahydro-2H-pyran-4-carboxylic Acid Ethyl EsterWSNKLYIWJLWVDJ-UHFFFAOYSA-NSCHEMBL1600273Ethyl 4-(3-fluoro-5-hydroxyphenyl)tetrahydro-2H-pyran-4-carboxylateEthyl 4(5-fluoro3-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylateethyl 4-(5-fluoro-3-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate
Database identifiers
- PubChem CID
- 18786374
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
6 records
Compound notes
Loading…