5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid

C14H16N2O4 — CID 117193242

IUPAC5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
SMILESCC(C)n1c(COc2cccc(O)c2)cnc1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(2)16-10(7-15-13(16)14(18)19)8-20-12-5-3-4-11(17)6-12/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyMRFATADQFCLMPD-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.45
Rot. Bonds5

About 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid

5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid (PubChem CID 117193242) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
PubChem CID117193242
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
SMILESCC(C)n1c(COc2cccc(O)c2)cnc1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(2)16-10(7-15-13(16)14(18)19)8-20-12-5-3-4-11(17)6-12/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyMRFATADQFCLMPD-UHFFFAOYSA-N
XLogP2.45
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256906
1-ethyl-5-[(3-methylphenoxy)methyl]imidazole-2-carboxylic acid
CID 117193234
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
3-[(6-fluoro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180729
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731
1-ethyl-5-[(3-hydroxyphenoxy)methyl]pyrazole-4-carboxylic acid
CID 117217970
3-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methoxy]phenol
CID 117256214
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117171575
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid (CID 117193242) is 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid is CC(C)n1c(COc2cccc(O)c2)cnc1C(=O)O.
What is the InChIKey of 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The InChIKey is MRFATADQFCLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(2)16-10(7-15-13(16)14(18)19)8-20-12-5-3-4-11(17)6-12/h3-7,9,17H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid is sourced from PubChem (CID 117193242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).