1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

C16H20N2O2 — CID 2916117

IUPAC1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)Cn1ccnc1C
InChIInChI=1S/C16H20N2O2/c1-3-6-14-7-4-5-8-16(14)20-12-15(19)11-18-10-9-17-13(18)2/h3-5,7-10,15,19H,1,6,11-12H2,2H3
InChIKeyNZNWXLBCYUWQDI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.36
Rot. Bonds7

About 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 2916117) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID2916117
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)Cn1ccnc1C
InChIInChI=1S/C16H20N2O2/c1-3-6-14-7-4-5-8-16(14)20-12-15(19)11-18-10-9-17-13(18)2/h3-5,7-10,15,19H,1,6,11-12H2,2H3
InChIKeyNZNWXLBCYUWQDI-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 2916117) is 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)Cn1ccnc1C.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is NZNWXLBCYUWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-6-14-7-4-5-8-16(14)20-12-15(19)11-18-10-9-17-13(18)2/h3-5,7-10,15,19H,1,6,11-12H2,2H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 2916117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).