1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone

C14H16N2O3 — CID 2963346

IUPAC1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)Cn1ccnc1
InChIInChI=1S/C14H16N2O3/c1-11(17)13-4-2-3-5-14(13)19-9-12(18)8-16-7-6-15-10-16/h2-7,10,12,18H,8-9H2,1H3
InChIKeyIKEGDOHZCUFTKW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone

1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone (PubChem CID 2963346) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone
PubChem CID2963346
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)Cn1ccnc1
InChIInChI=1S/C14H16N2O3/c1-11(17)13-4-2-3-5-14(13)19-9-12(18)8-16-7-6-15-10-16/h2-7,10,12,18H,8-9H2,1H3
InChIKeyIKEGDOHZCUFTKW-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone (CID 2963346) is 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone is CC(=O)c1ccccc1OCC(O)Cn1ccnc1.
What is the InChIKey of 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone?
The InChIKey is IKEGDOHZCUFTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-11(17)13-4-2-3-5-14(13)19-9-12(18)8-16-7-6-15-10-16/h2-7,10,12,18H,8-9H2,1H3.
What are the key properties of 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone?
1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone has a molecular weight of 260.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]ethanone is sourced from PubChem (CID 2963346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).