3-Fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-benzoic acid

HCID 20162499
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Basic information

Standard SMILES
CCCCCC1COC(c2ccc(C(=O)O)cc2F)OC1
InChIKey
UEBKETRQQQFKDY-UHFFFAOYSA-N
Molecular formula
C16H21FO4
Average molar mass
296.33 g/mol

Names & identifiers

Preferred name
3-Fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-benzoic acid
IUPAC
3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid

Names & synonyms

SCHEMBL10501059UEBKETRQQQFKDY-UHFFFAOYSA-N3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-benzoic acid

Database identifiers

PubChem CID
20162499

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
21

Related reactions

4 records
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Linked notes

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