4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid

C14H16N2O4 — CID 66155090

IUPAC4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
SMILESCCn1cncc1COc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C14H16N2O4/c1-3-16-9-15-7-11(16)8-20-12-5-4-10(14(17)18)6-13(12)19-2/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyMZTKWHJMSJORGZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.19
Rot. Bonds6

About 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid

4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid (PubChem CID 66155090) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
PubChem CID66155090
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
SMILESCCn1cncc1COc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C14H16N2O4/c1-3-16-9-15-7-11(16)8-20-12-5-4-10(14(17)18)6-13(12)19-2/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyMZTKWHJMSJORGZ-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
CID 66152798
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid (CID 66155090) is 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid is CCn1cncc1COc1ccc(C(=O)O)cc1OC.
What is the InChIKey of 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid?
The InChIKey is MZTKWHJMSJORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-16-9-15-7-11(16)8-20-12-5-4-10(14(17)18)6-13(12)19-2/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid?
4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid has a molecular weight of 276.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 66155090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).