2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone

C13H14N2O4 — CID 94274471

IUPAC2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
SMILESCOc1cccc(OC)c1OCC(=O)n1ccnc1
InChIInChI=1S/C13H14N2O4/c1-17-10-4-3-5-11(18-2)13(10)19-8-12(16)15-7-6-14-9-15/h3-7,9H,8H2,1-2H3
InChIKeyYQHSCKWHYUDCQW-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.62
Rot. Bonds5

About 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone

2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone (PubChem CID 94274471) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
PubChem CID94274471
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
SMILESCOc1cccc(OC)c1OCC(=O)n1ccnc1
InChIInChI=1S/C13H14N2O4/c1-17-10-4-3-5-11(18-2)13(10)19-8-12(16)15-7-6-14-9-15/h3-7,9H,8H2,1-2H3
InChIKeyYQHSCKWHYUDCQW-UHFFFAOYSA-N
XLogP1.62
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 7996532
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid
CID 53215757
1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
CID 63914428
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone (CID 94274471) is 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone is COc1cccc(OC)c1OCC(=O)n1ccnc1.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone?
The InChIKey is YQHSCKWHYUDCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-10-4-3-5-11(18-2)13(10)19-8-12(16)15-7-6-14-9-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone?
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone has a molecular weight of 262.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone is sourced from PubChem (CID 94274471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).