4-Ethyl-4-(5-fluoro-3-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolane

HCID 19088699
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC1(c2cc(O)cc(F)c2)COC(C)(C)O1
InChIKey
IGPVNANPWBRESR-UHFFFAOYSA-N
Molecular formula
C13H17FO3
Average molar mass
240.27 g/mol

Names & identifiers

Preferred name
4-Ethyl-4-(5-fluoro-3-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolane
IUPAC
3-(4-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-5-fluorophenol

Names & synonyms

SCHEMBL9310880IGPVNANPWBRESR-UHFFFAOYSA-N4-ethyl-4-(5-fluoro-3-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolane

Database identifiers

PubChem CID
19088699

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

3 records
New reaction record

Linked notes

Loading…