2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid

C15H16N2O4 — CID 154569273

IUPAC2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1-c1nccn1C1CCOC1
InChIInChI=1S/C15H16N2O4/c18-14(19)10-21-13-4-2-1-3-12(13)15-16-6-7-17(15)11-5-8-20-9-11/h1-4,6-7,11H,5,8-10H2,(H,18,19)
InChIKeyOFLIPBUEMGCIKL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.97
Rot. Bonds5

About 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid

2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid (PubChem CID 154569273) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
PubChem CID154569273
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1-c1nccn1C1CCOC1
InChIInChI=1S/C15H16N2O4/c18-14(19)10-21-13-4-2-1-3-12(13)15-16-6-7-17(15)11-5-8-20-9-11/h1-4,6-7,11H,5,8-10H2,(H,18,19)
InChIKeyOFLIPBUEMGCIKL-UHFFFAOYSA-N
XLogP1.97
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole
CID 96575774
3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine
CID 154819013
N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide
CID 154815947
2-[2-[1-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 154818401
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid
CID 84734462
2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
CID 154816099
2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
CID 155940361
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
5-(2-methoxyphenyl)-1-(oxolan-3-yl)triazole-4-carboxylic acid
CID 102642654
acetic acid;2-[2-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 155940414
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid (CID 154569273) is 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid is O=C(O)COc1ccccc1-c1nccn1C1CCOC1.
What is the InChIKey of 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid?
The InChIKey is OFLIPBUEMGCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(19)10-21-13-4-2-1-3-12(13)15-16-6-7-17(15)11-5-8-20-9-11/h1-4,6-7,11H,5,8-10H2,(H,18,19).
What are the key properties of 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid?
2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 154569273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).