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

C13H14N2O4 — CID 79732848

IUPAC3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
SMILESCCn1ccnc1Oc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H14N2O4/c1-3-15-7-6-14-13(15)19-11-8-9(12(16)17)4-5-10(11)18-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyDIHKONNJHIIZFN-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.40
Rot. Bonds5

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

3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid (PubChem CID 79732848) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
PubChem CID79732848
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
SMILESCCn1ccnc1Oc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H14N2O4/c1-3-15-7-6-14-13(15)19-11-8-9(12(16)17)4-5-10(11)18-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyDIHKONNJHIIZFN-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
CID 107672719
4-bromo-3-(1-ethylimidazol-2-yl)oxybenzoic acid
CID 114103552
4-bromo-2-(1-ethylimidazol-2-yl)oxybenzoic acid
CID 62138804
2-(2-bromo-4-methoxyphenoxy)-1-ethylimidazole
CID 104707547
3,4-dimethoxybenzoic acid;methanol
CID 144580050
1-(3,4-dimethoxyphenyl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
CID 51099617
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
CID 79732948
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid
CID 62138617

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid?
The IUPAC name of 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid (CID 79732848) is 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid is CCn1ccnc1Oc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid?
The InChIKey is DIHKONNJHIIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-15-7-6-14-13(15)19-11-8-9(12(16)17)4-5-10(11)18-2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid?
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid has a molecular weight of 262.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid is sourced from PubChem (CID 79732848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).