2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid

C16H20N2O3 — CID 63074432

IUPAC2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
SMILESCC(C)c1nccn1CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H20N2O3/c1-12(2)16-17-7-8-18(16)9-10-21-14-5-3-13(4-6-14)11-15(19)20/h3-8,12H,9-11H2,1-2H3,(H,19,20)
InChIKeySCCWFKHRVOBVGE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid

2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid (PubChem CID 63074432) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
PubChem CID63074432
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
SMILESCC(C)c1nccn1CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H20N2O3/c1-12(2)16-17-7-8-18(16)9-10-21-14-5-3-13(4-6-14)11-15(19)20/h3-8,12H,9-11H2,1-2H3,(H,19,20)
InChIKeySCCWFKHRVOBVGE-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid (CID 63074432) is 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid is CC(C)c1nccn1CCOc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid?
The InChIKey is SCCWFKHRVOBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)16-17-7-8-18(16)9-10-21-14-5-3-13(4-6-14)11-15(19)20/h3-8,12H,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid?
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 63074432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).