2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid

C15H19FO3 — CID 107014244

IUPAC2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
SMILESCCC1CCCCC1Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H19FO3/c1-2-10-5-3-4-6-13(10)19-14-9-11(16)7-8-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyRGWWCONQGRZZIK-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid

2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid (PubChem CID 107014244) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
PubChem CID107014244
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
SMILESCCC1CCCCC1Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H19FO3/c1-2-10-5-3-4-6-13(10)19-14-9-11(16)7-8-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyRGWWCONQGRZZIK-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl Salicylate
CID 4133
Aspirin
CID 2244
Benzyl Salicylate
CID 8363
Salsalate
CID 5161
Homosalate
CID 8362
Phenyl Salicylate
CID 8361
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Menthyl Salicylate
CID 20055232
p-tert-Butylphenyl salicylate
CID 66597
Butyl salicylate
CID 16330
Methyl 2-Methoxybenzoate
CID 61151

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid (CID 107014244) is 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid is CCC1CCCCC1Oc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid?
The InChIKey is RGWWCONQGRZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-2-10-5-3-4-6-13(10)19-14-9-11(16)7-8-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid?
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid has a molecular weight of 266.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid is sourced from PubChem (CID 107014244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).