3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol

C15H16N2O2 — CID 114530828

IUPAC3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESCn1ccnc1CCOc1ccccc1C#CCO
InChIInChI=1S/C15H16N2O2/c1-17-10-9-16-15(17)8-12-19-14-7-3-2-5-13(14)6-4-11-18/h2-3,5,7,9-10,18H,8,11-12H2,1H3
InChIKeyOHPBQAXEOKJAOS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.39
Rot. Bonds4

About 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol

3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 114530828) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID114530828
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESCn1ccnc1CCOc1ccccc1C#CCO
InChIInChI=1S/C15H16N2O2/c1-17-10-9-16-15(17)8-12-19-14-7-3-2-5-13(14)6-4-11-18/h2-3,5,7,9-10,18H,8,11-12H2,1H3
InChIKeyOHPBQAXEOKJAOS-UHFFFAOYSA-N
XLogP1.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60890550
2-[2-[2-(3-chloroprop-1-ynyl)-5-fluorophenoxy]ethyl]-1-methylimidazole
CID 114530868
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 82891901
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
3-[2-(3-phenoxypropoxy)phenyl]prop-2-yn-1-ol
CID 62936966

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (CID 114530828) is 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is Cn1ccnc1CCOc1ccccc1C#CCO.
What is the InChIKey of 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is OHPBQAXEOKJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-10-9-16-15(17)8-12-19-14-7-3-2-5-13(14)6-4-11-18/h2-3,5,7,9-10,18H,8,11-12H2,1H3.
What are the key properties of 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 256.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114530828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).