(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one

C12H9FN2O2 — CID 18782938

IUPAC(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ncc[nH]1)c1ccc(F)cc1O
InChIInChI=1S/C12H9FN2O2/c13-8-1-2-9(11(17)7-8)10(16)3-4-12-14-5-6-15-12/h1-7,17H,(H,14,15)/b4-3+
InChIKeyRCFMJGVKNNEANI-ONEGZZNKSA-N
MW232.21 g/mol
LogP2.15
Rot. Bonds3

About (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one

(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one (PubChem CID 18782938) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
PubChem CID18782938
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ncc[nH]1)c1ccc(F)cc1O
InChIInChI=1S/C12H9FN2O2/c13-8-1-2-9(11(17)7-8)10(16)3-4-12-14-5-6-15-12/h1-7,17H,(H,14,15)/b4-3+
InChIKeyRCFMJGVKNNEANI-ONEGZZNKSA-N
XLogP2.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one (CID 18782938) is (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one is O=C(/C=C/c1ncc[nH]1)c1ccc(F)cc1O.
What is the InChIKey of (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one?
The InChIKey is RCFMJGVKNNEANI-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-8-1-2-9(11(17)7-8)10(16)3-4-12-14-5-6-15-12/h1-7,17H,(H,14,15)/b4-3+.
What are the key properties of (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one?
(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one has a molecular weight of 232.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 18782938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).