2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid

C11H10N2O3 — CID 69090482

IUPAC2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C11H10N2O3/c14-11(15)6-16-9-3-1-2-8(4-9)10-5-12-7-13-10/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKeyXSMDNQWQKZYBQC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.54
Rot. Bonds4

About 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid

2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid (PubChem CID 69090482) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
PubChem CID69090482
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C11H10N2O3/c14-11(15)6-16-9-3-1-2-8(4-9)10-5-12-7-13-10/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKeyXSMDNQWQKZYBQC-UHFFFAOYSA-N
XLogP1.54
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid (CID 69090482) is 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid is O=C(O)COc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid?
The InChIKey is XSMDNQWQKZYBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11(15)6-16-9-3-1-2-8(4-9)10-5-12-7-13-10/h1-5,7H,6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid?
2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 69090482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).