2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid

C12H11FN2O3 — CID 104651233

IUPAC2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCn2ccnc2)cc1F
InChIInChI=1S/C12H11FN2O3/c13-11-7-9(1-2-10(11)12(16)17)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyCYZKXTISOASERC-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.80
Rot. Bonds5

About 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid

2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid (PubChem CID 104651233) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
PubChem CID104651233
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCn2ccnc2)cc1F
InChIInChI=1S/C12H11FN2O3/c13-11-7-9(1-2-10(11)12(16)17)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyCYZKXTISOASERC-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 113281443
5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
3-fluoro-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 107689821
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid (CID 104651233) is 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid is O=C(O)c1ccc(OCCn2ccnc2)cc1F.
What is the InChIKey of 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid?
The InChIKey is CYZKXTISOASERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-11-7-9(1-2-10(11)12(16)17)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid?
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid is sourced from PubChem (CID 104651233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).