4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid

C13H14N2O3 — CID 107672719

IUPAC4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
SMILESCCn1ccnc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C13H14N2O3/c1-3-15-7-6-14-13(15)18-11-5-4-10(12(16)17)8-9(11)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyPPIQBWAJOBCWGD-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.70
Rot. Bonds4

About 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid

4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid (PubChem CID 107672719) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
PubChem CID107672719
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
SMILESCCn1ccnc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C13H14N2O3/c1-3-15-7-6-14-13(15)18-11-5-4-10(12(16)17)8-9(11)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyPPIQBWAJOBCWGD-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
4-bromo-3-(1-ethylimidazol-2-yl)oxybenzoic acid
CID 114103552
4-bromo-2-(1-ethylimidazol-2-yl)oxybenzoic acid
CID 62138804
1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 112689409
3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid
CID 107672794
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
CID 79591959
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
2-(2-bromo-4-methoxyphenoxy)-1-ethylimidazole
CID 104707547
1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid
CID 62138617
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid?
The IUPAC name of 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid (CID 107672719) is 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid is CCn1ccnc1Oc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid?
The InChIKey is PPIQBWAJOBCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-15-7-6-14-13(15)18-11-5-4-10(12(16)17)8-9(11)2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid?
4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid is sourced from PubChem (CID 107672719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).