3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid

C15H18N2O4 — CID 66152798

IUPAC3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1cncn1CC
InChIInChI=1S/C15H18N2O4/c1-3-17-10-16-8-12(17)9-21-13-6-5-11(15(18)19)7-14(13)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyZDTYDERUOYBOGE-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.58
Rot. Bonds7

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

3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid (PubChem CID 66152798) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
PubChem CID66152798
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1cncn1CC
InChIInChI=1S/C15H18N2O4/c1-3-17-10-16-8-12(17)9-21-13-6-5-11(15(18)19)7-14(13)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyZDTYDERUOYBOGE-UHFFFAOYSA-N
XLogP2.58
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
3-ethoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 16769585
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-ethoxybenzoic acid
CID 43524865
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
[3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]methanol
CID 66152427
3-ethoxy-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 61492893
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
CID 66154715

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid (CID 66152798) is 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid is CCOc1cc(C(=O)O)ccc1OCc1cncn1CC.
What is the InChIKey of 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid?
The InChIKey is ZDTYDERUOYBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-17-10-16-8-12(17)9-21-13-6-5-11(15(18)19)7-14(13)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid?
3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 66152798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).