3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid

C15H15F3O3 — CID 170686045

IUPAC3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid
SMILESC=CC1(Oc2cc(C(=O)O)ccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H15F3O3/c1-2-14(7-3-4-8-14)21-12-9-10(13(19)20)5-6-11(12)15(16,17)18/h2,5-6,9H,1,3-4,7-8H2,(H,19,20)
InChIKeyWCTRUUYGFWRRAM-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.28
Rot. Bonds4

About 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid

3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid (PubChem CID 170686045) has the molecular formula C15H15F3O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid
PubChem CID170686045
Molecular FormulaC15H15F3O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid
SMILESC=CC1(Oc2cc(C(=O)O)ccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H15F3O3/c1-2-14(7-3-4-8-14)21-12-9-10(13(19)20)5-6-11(12)15(16,17)18/h2,5-6,9H,1,3-4,7-8H2,(H,19,20)
InChIKeyWCTRUUYGFWRRAM-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
CID 170686044
phenyl 3-(1-ethenylcyclohexyl)oxy-4-(trifluoromethyl)benzoate
CID 177111339
3-(1-ethenylcyclopentyl)oxy-4-nitrobenzoic acid
CID 170686465
3-(1-phenylcyclohexyl)oxy-4-(trifluoromethyl)benzoic acid
CID 170686319
3-(1-phenylcyclopentyl)oxycarbonyloxy-4-(trifluoromethyl)benzoic acid
CID 170685941
3-(1-propan-2-ylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
CID 170686014
phenyl 3-(1-tert-butylcyclohexyl)oxy-4-(trifluoromethyl)benzoate
CID 177111177
3-[1-(2-phenylethynyl)cyclohexyl]oxy-4-(trifluoromethyl)benzoate
CID 170686022
3-(1-cyclopentyloxyethoxy)-4-(trifluoromethyl)benzoic acid
CID 170686007
3-[cyclopentyl(methoxy)methoxy]-4-(trifluoromethyl)benzoic acid
CID 170686548
3-(1-tert-butylcyclopentyl)oxy-4-fluorobenzoic acid
CID 170686633
3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
CID 117096689

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid (CID 170686045) is 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid is C=CC1(Oc2cc(C(=O)O)ccc2C(F)(F)F)CCCC1.
What is the InChIKey of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid?
The InChIKey is WCTRUUYGFWRRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3/c1-2-14(7-3-4-8-14)21-12-9-10(13(19)20)5-6-11(12)15(16,17)18/h2,5-6,9H,1,3-4,7-8H2,(H,19,20).
What are the key properties of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid?
3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid has a molecular weight of 300.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 170686045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).