2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid

C12H12N2O4 — CID 117190487

IUPAC2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCOc1cccc(Oc2ncc(C(=O)O)n2C)c1
InChIInChI=1S/C12H12N2O4/c1-14-10(11(15)16)7-13-12(14)18-9-5-3-4-8(6-9)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyLMJZDVDDSXQLKV-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.92
Rot. Bonds4

About 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid

2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid (PubChem CID 117190487) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
PubChem CID117190487
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCOc1cccc(Oc2ncc(C(=O)O)n2C)c1
InChIInChI=1S/C12H12N2O4/c1-14-10(11(15)16)7-13-12(14)18-9-5-3-4-8(6-9)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyLMJZDVDDSXQLKV-UHFFFAOYSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
CID 117190482
2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
CID 82390131
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190460
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
CID 140976686
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid (CID 117190487) is 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid is COc1cccc(Oc2ncc(C(=O)O)n2C)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid?
The InChIKey is LMJZDVDDSXQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-10(11(15)16)7-13-12(14)18-9-5-3-4-8(6-9)17-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid?
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117190487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).