4-Octyloxy-3-trifluoromethylbenzoic acid

HCID 53349255
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Basic information

Standard SMILES
CCCCCCCCOc1ccc(C(=O)O)cc1C(F)(F)F
InChIKey
CAZVJSKHSOCIBU-UHFFFAOYSA-N
Molecular formula
C16H21F3O3
Average molar mass
318.33 g/mol

Names & identifiers

Preferred name
4-Octyloxy-3-trifluoromethylbenzoic acid
IUPAC
4-octoxy-3-(trifluoromethyl)benzoic acid

Names & synonyms

4-Octyloxy-3-trifluoromethylbenzoic acid1005407-63-54-Octyloxy-3-trifluoromethyl-benzoic acid4-octoxy-3-(trifluoromethyl)benzoic acidSCHEMBL11717514-(Octyloxy)-3-(trifluoromethyl)benzoic acidA1-03789

Database identifiers

PubChem CID
53349255

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
22

Related reactions

8 records
New reaction record

Compound notes

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