2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid

C17H21FO3 — CID 24945241

IUPAC2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid
SMILESCOC12CCC(CC1)C(CC(=O)O)(c1ccc(F)cc1)C2
InChIInChI=1S/C17H21FO3/c1-21-16-8-6-13(7-9-16)17(11-16,10-15(19)20)12-2-4-14(18)5-3-12/h2-5,13H,6-11H2,1H3,(H,19,20)
InChIKeyUXUNMAHZRLDHIA-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.52
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid

2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid (PubChem CID 24945241) has the molecular formula C17H21FO3 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid
PubChem CID24945241
Molecular FormulaC17H21FO3
Molecular Weight292.35 g/mol
Exact Mass292.15
IUPAC Name2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid
SMILESCOC12CCC(CC1)C(CC(=O)O)(c1ccc(F)cc1)C2
InChIInChI=1S/C17H21FO3/c1-21-16-8-6-13(7-9-16)17(11-16,10-15(19)20)12-2-4-14(18)5-3-12/h2-5,13H,6-11H2,1H3,(H,19,20)
InChIKeyUXUNMAHZRLDHIA-UHFFFAOYSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid (CID 24945241) is 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid is COC12CCC(CC1)C(CC(=O)O)(c1ccc(F)cc1)C2.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid?
The InChIKey is UXUNMAHZRLDHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO3/c1-21-16-8-6-13(7-9-16)17(11-16,10-15(19)20)12-2-4-14(18)5-3-12/h2-5,13H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid?
2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid has a molecular weight of 292.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid is sourced from PubChem (CID 24945241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).