1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one

C14H16N2O3 — CID 94273204

IUPAC1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
SMILESCOc1cc(C)ccc1OCCC(=O)n1ccnc1
InChIInChI=1S/C14H16N2O3/c1-11-3-4-12(13(9-11)18-2)19-8-5-14(17)16-7-6-15-10-16/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyVTSPHPSZPDVUFC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.31
Rot. Bonds5

About 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one

1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one (PubChem CID 94273204) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
PubChem CID94273204
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
SMILESCOc1cc(C)ccc1OCCC(=O)n1ccnc1
InChIInChI=1S/C14H16N2O3/c1-11-3-4-12(13(9-11)18-2)19-8-5-14(17)16-7-6-15-10-16/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyVTSPHPSZPDVUFC-UHFFFAOYSA-N
XLogP2.31
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one
CID 86605180
3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
3-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95736648
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
3-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 125146147
1-[(3R)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 98188578

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one?
The IUPAC name of 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one (CID 94273204) is 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one?
The canonical SMILES for 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one is COc1cc(C)ccc1OCCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one?
The InChIKey is VTSPHPSZPDVUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-11-3-4-12(13(9-11)18-2)19-8-5-14(17)16-7-6-15-10-16/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one?
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one has a molecular weight of 260.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one is sourced from PubChem (CID 94273204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).