3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one

C14H16N2O3 — CID 94273200

IUPAC3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
SMILESCCOc1ccc(OCCC(=O)n2ccnc2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-18-12-3-5-13(6-4-12)19-10-7-14(17)16-9-8-15-11-16/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyTYUNWJWXIGTYQA-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.39
Rot. Bonds6

About 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one

3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one (PubChem CID 94273200) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
PubChem CID94273200
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
SMILESCCOc1ccc(OCCC(=O)n2ccnc2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-18-12-3-5-13(6-4-12)19-10-7-14(17)16-9-8-15-11-16/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyTYUNWJWXIGTYQA-UHFFFAOYSA-N
XLogP2.39
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
4-(3-bromophenoxy)-1-imidazol-1-ylbutan-1-one
CID 94321406
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
4-[4-(2-imidazol-1-yl-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 44513962
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
1-imidazol-1-yl-6-methoxyhexan-1-one
CID 58939130
ethyl 4-[4-[imidazol-1-yl(phenyl)methyl]phenoxy]butanoate
CID 139612850

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one?
The IUPAC name of 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one (CID 94273200) is 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one is CCOc1ccc(OCCC(=O)n2ccnc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one?
The InChIKey is TYUNWJWXIGTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-18-12-3-5-13(6-4-12)19-10-7-14(17)16-9-8-15-11-16/h3-6,8-9,11H,2,7,10H2,1H3.
What are the key properties of 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one?
3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one has a molecular weight of 260.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 94273200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).